/usr/share/avogadro/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif is in avogadro-data 1.2.0-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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_chemical_name_mineral 'Fougerite'
loop_
_publ_author_name
'Trolard F'
'Bourrie G'
'Abdelmoula M'
'Refait P'
'Feder F'
_journal_name_full 'Clays and Clay Minerals'
_journal_volume 55
_journal_year 2007
_journal_page_first 323
_journal_page_last 334
_publ_section_title
;
Fougerite, a new mineral of the pyroaurite-iowaite group: Description and
crystal structure
;
_database_code_amcsd 0012240
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe O2.25 Cl.5 H2.75'
_cell_length_a 3.190
_cell_length_b 3.190
_cell_length_c 23.85
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 210.184
_exptl_crystal_density_diffrn 2.663
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
'x,y,z'
'2/3+x,1/3+y,1/3+z'
'1/3+x,2/3+y,2/3+z'
'x,x-y,z'
'2/3+x,1/3+x-y,1/3+z'
'1/3+x,2/3+x-y,2/3+z'
'y,x,-z'
'2/3+y,1/3+x,1/3-z'
'1/3+y,2/3+x,2/3-z'
'-x+y,y,z'
'2/3-x+y,1/3+y,1/3+z'
'1/3-x+y,2/3+y,2/3+z'
'-x,-x+y,-z'
'2/3-x,1/3-x+y,1/3-z'
'1/3-x,2/3-x+y,2/3-z'
'-y,-x,z'
'2/3-y,1/3-x,1/3+z'
'1/3-y,2/3-x,2/3+z'
'x-y,-y,-z'
'2/3+x-y,1/3-y,1/3-z'
'1/3+x-y,2/3-y,2/3-z'
'y,-x+y,-z'
'2/3+y,1/3-x+y,1/3-z'
'1/3+y,2/3-x+y,2/3-z'
'-x+y,-x,z'
'2/3-x+y,1/3-x,1/3+z'
'1/3-x+y,2/3-x,2/3+z'
'-x,-y,-z'
'2/3-x,1/3-y,1/3-z'
'1/3-x,2/3-y,2/3-z'
'-y,x-y,z'
'2/3-y,1/3+x-y,1/3+z'
'1/3-y,2/3+x-y,2/3+z'
'x-y,x,-z'
'2/3+x-y,1/3+x,1/3-z'
'1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe 0.00000 0.00000 0.00000 1.00000
O-H 0.00000 0.00000 0.37500 0.87500
Wat 0.10000 0.10000 0.50000 0.08333
Cl 0.25000 0.25000 0.50000 0.08333
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.00900 0.00900 0.02500 0.00450 0.00000 0.00000
O-H 0.01400 0.01400 0.06000 0.00700 0.00000 0.00000
Wat 0.15000 0.15000 0.08000 0.10000 -0.02000 0.02000
Cl 0.30000 0.30000 0.08000 0.10000 -0.02000 0.02000
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