data_POs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   127.84
_cell_angle_beta   127.84
_cell_angle_gamma   76.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Rh
_chemical_formula_sum   'P1 Os2 Rh1'
_cell_volume   55.2
_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  P2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.98  0.76  1.0
  Os  Os1  1  0.98  0.0  0.76  1.0
  Rh  Rh3  1  0.0  0.0  0.52  1.0

data_POs2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   128.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   POs2Rh
_chemical_formula_sum   'P2 Os4 Rh2'
_cell_volume   110.39
_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  0.0  1.0
  Os  Os1  4  0.23  0.01  0.22  1.0
  Rh  Rh2  2  0.48  0.0  0.48  1.0

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