data_PRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.27
_cell_angle_alpha   102.78
_cell_angle_beta   102.78
_cell_angle_gamma   52.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRh2Se
_chemical_formula_sum   'P1 Rh2 Se1'
_cell_volume   64.67
_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  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.47  0.0  0.94  1.0
  Rh  Rh2  1  0.55  0.0  0.14  1.0
  Se  Se3  1  0.51  0.0  0.04  1.0

data_PRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.66
_cell_length_c   6.27
_cell_angle_alpha   102.78
_cell_angle_beta   90.0
_cell_angle_gamma   116.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRh2Se
_chemical_formula_sum   'P1 Rh2 Se1'
_cell_volume   64.67
_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  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.45  0.86  1.0
  Rh  Rh2  1  0.0  0.53  0.06  1.0
  Se  Se3  1  0.0  0.49  0.96  1.0

P Rh Rh Se