data_SrPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPSe2
_chemical_formula_sum   'Sr1 P1 Se2'
_cell_volume   112.84
_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
  Sr  Sr3  1  0.51  0.24  0.01  1.0
  P  P0  1  0.18  0.0  0.29  1.0
  Se  Se1  1  0.96  0.24  0.61  1.0
  Se  Se2  1  0.31  0.0  0.53  1.0

data_SrPSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.03
_cell_angle_alpha   111.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPSe2
_chemical_formula_sum   'Sr1 P1 Se2'
_cell_volume   112.84
_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
  Sr  Sr0  1  0.76  0.49  0.99  1.0
  P  P1  1  0.0  0.82  0.71  1.0
  Se  Se2  1  0.0  0.69  0.47  1.0
  Se  Se3  1  0.76  0.04  0.39  1.0

Sr P Se Se