data_Ta2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.94
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PRh
_chemical_formula_sum   'Ta2 P1 Rh1'
_cell_volume   62.27
_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
  Ta  Ta2  1  0.45  0.97  0.1  1.0
  Ta  Ta3  1  0.45  0.97  0.34  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.72  1.0

data_Ta2PRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.94
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PRh
_chemical_formula_sum   'Ta2 P1 Rh1'
_cell_volume   62.27
_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
  Ta  Ta0  1  0.45  0.97  0.1  1.0
  Ta  Ta1  1  0.45  0.97  0.34  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.72  1.0

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