[CIF]
data_Ge8PSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92568265
_cell_length_b   7.29836644
_cell_length_c   10.88091113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge8PSe6
_chemical_formula_sum   'Ge16 P2 Se12'
_cell_volume   708.81413510
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ge  Ge0  1  0.00000000  4.79286009  0.76742457  1
  Ge  Ge1  1  4.46284133  2.50550635  6.20788013  1
  Ge  Ge2  1  2.23234554  1.32889744  9.26293597  1
  Ge  Ge3  1  2.23049578  5.96946900  3.82248040  1
  Ge  Ge4  1  6.69518687  5.96946900  3.82248040  1
  Ge  Ge5  1  6.69333711  1.32889744  9.26293597  1
  Ge  Ge6  1  1.33611552  3.49748237  3.21440482  1
  Ge  Ge7  1  3.12672581  3.80088407  8.65486038  1
  Ge  Ge8  1  5.79895684  3.80088407  8.65486038  1
  Ge  Ge9  1  7.58956713  3.49748237  3.21440482  1
  Ge  Ge10  1  1.73701550  1.59182204  1.38371154  1
  Ge  Ge11  1  2.72582583  5.70654440  6.82416711  1
  Ge  Ge12  1  6.19985682  5.70654440  6.82416711  1
  Ge  Ge13  1  7.18866715  1.59182204  1.38371154  1
  Ge  Ge14  1  0.00000000  5.48663667  5.32070940  1
  Ge  Ge15  1  4.46284133  1.81172977  10.76116496  1
  P  P16  1  0.00000000  1.76777251  5.55487150  1
  P  P17  1  4.46284133  5.53059393  0.11441594  1
  Se  Se18  1  0.00000000  2.44109243  10.41335849  1
  Se  Se19  1  4.46284133  4.85727401  4.97290292  1
  Se  Se20  1  0.00000000  7.17214535  2.25793693  1
  Se  Se21  1  4.46284133  0.12622109  7.69839250  1
  Se  Se22  1  0.00000000  0.07274041  7.23257808  1
  Se  Se23  1  4.46284133  7.22562603  1.79212251  1
  Se  Se24  1  0.00000000  3.59216517  6.97760493  1
  Se  Se25  1  4.46284133  3.70620127  1.53714936  1
  Se  Se26  1  1.96127193  5.55820620  10.20340576  1
  Se  Se27  1  2.50156939  1.74016024  4.76295019  1
  Se  Se28  1  6.42411326  1.74016024  4.76295019  1
  Se  Se29  1  6.96441072  5.55820620  10.20340576  1
[/CIF]
