[CIF]
data_Ge2PSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78122626
_cell_length_b   3.78122626
_cell_length_c   5.73117461
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PSe
_chemical_formula_sum   'Ge2 P1 Se1'
_cell_volume   81.94245492
_cell_formula_units_Z   1
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  0.00000000  5.27710522  1
  Ge  Ge1  1  1.89061313  1.89061313  2.22053604  1
  P  P2  1  0.00000000  0.00000000  1.99464798  1
  Se  Se3  1  1.89061313  1.89061313  4.83564728  1
[/CIF]
