data_SbPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   3.89
_cell_angle_alpha   101.18
_cell_angle_beta   101.18
_cell_angle_gamma   25.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPSe2
_chemical_formula_sum   'Sb1 P1 Se2'
_cell_volume   103.97
_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
  Sb  Sb1  1  0.15  0.0  0.19  1.0
  P  P0  1  0.82  0.0  0.55  1.0
  Se  Se2  1  0.07  0.0  0.27  1.0
  Se  Se3  1  0.96  0.0  0.72  1.0

data_SbPSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.89
_cell_length_c   7.92
_cell_angle_alpha   101.18
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPSe2
_chemical_formula_sum   'Sb1 P1 Se2'
_cell_volume   103.97
_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
  Sb  Sb0  1  0.0  0.19  0.15  1.0
  P  P1  1  0.0  0.55  0.82  1.0
  Se  Se2  1  0.0  0.27  0.07  1.0
  Se  Se3  1  0.0  0.72  0.96  1.0

Sb P Se Se
Sb P Se Se 0 2 o o o 1 3 o o o 