data_P2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2RhSe
_chemical_formula_sum   'P2 Rh1 Se1'
_cell_volume   72.59
_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  0.59  0.59  0.91  1.0
  P  P1  1  0.0  0.0  0.76  1.0
  Rh  Rh2  1  0.59  0.59  0.35  1.0
  Se  Se3  1  0.0  0.0  0.78  1.0

data_P2RhSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P2RhSe
_chemical_formula_sum   'P4 Rh2 Se2'
_cell_volume   145.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.76  1.0
  P  P1  2  0.09  0.5  0.91  1.0
  Rh  Rh2  2  0.09  0.5  0.35  1.0
  Se  Se3  2  0.0  0.0  0.78  1.0

P P Rh Se
P P Rh Se 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o o + 1 3 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 