data_CoP2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   145.98
_cell_angle_beta   132.88
_cell_angle_gamma   59.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Rh
_chemical_formula_sum   'Co1 P2 Rh1'
_cell_volume   52.01
_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
  Co  Co0  1  0.0  0.0  0.91  1.0
  P  P1  1  0.47  0.0  0.19  1.0
  P  P2  1  0.0  0.0  0.52  1.0
  Rh  Rh3  1  0.0  0.01  0.14  1.0

data_CoP2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.03
_cell_length_c   5.04
_cell_angle_alpha   113.56
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Rh
_chemical_formula_sum   'Co1 P2 Rh1'
_cell_volume   52.01
_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
  Co  Co0  1  0.0  0.91  0.91  1.0
  P  P1  1  0.0  0.19  0.71  1.0
  P  P2  1  0.0  0.52  0.52  1.0
  Rh  Rh3  1  0.99  0.12  0.12  1.0

Co P P Rh
Co P P Rh 0 3 o o + 0 1 o o + 0 2 o o o 1 2 + o o 2 3 o o o 