data_LaPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   3.8
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPSe2
_chemical_formula_sum   'La1 P1 Se2'
_cell_volume   102.37
_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
  La  La0  1  0.17  0.9  0.18  1.0
  P  P1  1  0.92  0.0  0.66  1.0
  Se  Se2  1  0.2  0.9  0.32  1.0
  Se  Se3  1  0.12  0.0  0.53  1.0

data_LaPSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.17
_cell_length_c   6.75
_cell_angle_alpha   106.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPSe2
_chemical_formula_sum   'La1 P1 Se2'
_cell_volume   102.37
_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
  La  La0  1  0.1  0.83  0.82  1.0
  P  P1  1  0.0  0.08  0.34  1.0
  Se  Se2  1  0.0  0.88  0.47  1.0
  Se  Se3  1  0.1  0.8  0.68  1.0

La P Se Se
La P Se Se 0 2 o o o 1 3 + o o 2 3 o + o 