data_Ti2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   133.63
_cell_angle_beta   128.31
_cell_angle_gamma   71.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PRh
_chemical_formula_sum   'Ti2 P1 Rh1'
_cell_volume   57.49
_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
  Ti  Ti2  1  0.85  0.0  0.89  1.0
  Ti  Ti3  1  0.0  0.05  0.9  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.8  1.0

data_Ti2PRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.09
_cell_length_c   4.69
_cell_angle_alpha   115.84
_cell_angle_beta   113.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PRh
_chemical_formula_sum   'Ti2 P1 Rh1'
_cell_volume   57.49
_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
  Ti  Ti0  1  0.0  0.89  0.05  1.0
  Ti  Ti1  1  0.95  0.86  0.86  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.8  0.8  1.0

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