[CIF]
data_Sn2PSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92143295
_cell_length_b   3.92143295
_cell_length_c   6.65924843
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.96425642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PSe
_chemical_formula_sum   'Sn2 P1 Se1'
_cell_volume   102.15848774
_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
  P  P0  1  0.00000000  0.00000000  3.94823030  1
  Se  Se1  1  2.67530529  0.00000000  1.40139595  1
  Sn  Sn2  1  0.00000000  0.00000000  0.36250365  1
  Sn  Sn3  1  2.67530529  0.00000000  4.27674275  1
[/CIF]
