data_Co2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PRh
_chemical_formula_sum   'Co2 P1 Rh1'
_cell_volume   46.26
_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  0.77  0.0  0.7  1.0
  Co  Co1  1  0.77  0.0  0.32  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.51  1.0

data_Co2PRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PRh
_chemical_formula_sum   'Co2 P1 Rh1'
_cell_volume   46.26
_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  0.77  0.0  0.32  1.0
  Co  Co1  1  0.77  0.0  0.7  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.51  1.0

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