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data_global
_chemical_name_mineral 'Pyrophyllite'
loop_
_publ_author_name
'Lee J H'
'Guggenheim S'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 350
_journal_page_last 357
_publ_section_title
;
 Single crystal X-ray refinement of pyrophyllite-1Tc
;
_database_code_amcsd 0000823
_chemical_formula_sum 'Al Si2 O6 H'
_cell_length_a 5.160
_cell_length_b 8.966
_cell_length_c 9.347
_cell_angle_alpha 91.18
_cell_angle_beta 100.46
_cell_angle_gamma 89.64
_cell_volume 425.157
_exptl_crystal_density_diffrn      2.815
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al   0.49950   0.16705  -0.00008
Si1   0.74490  -0.00303   0.29169
Si2   0.75950   0.32577   0.29230
O1   0.64950   0.00180   0.11550
O2   0.73140   0.30790   0.11580
O-H   0.22630   0.19270   0.10810
Ob1   0.04980   0.38910   0.35890
Ob2   0.72510   0.16370   0.35840
Ob3   0.54520   0.44260   0.33250
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
Al 0.00691 0.00672 0.01275 -0.00115 0.00142 -0.00025
Si1 0.00744 0.00651 0.01236 -0.00207 0.00142 0.00004
Si2 0.00744 0.00659 0.01322 -0.00184 0.00213 -0.00033
O1 0.01070 0.00936 0.01326 -0.00092 0.00047 -0.00042
O2 0.00887 0.01058 0.01284 -0.00184 0.00142 -0.00083
O-H 0.01044 0.01181 0.01626 0.00115 0.00283 0.00209
Ob1 0.01017 0.01099 0.01669 -0.00484 0.00142 0.00083
Ob2 0.01474 0.00692 0.01669 -0.00184 0.00402 -0.00042
Ob3 0.00796 0.01262 0.01797 0.00046 0.00165 -0.00292