data_Ti2NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.48
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   35.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NiRh
_chemical_formula_sum   'Ti2 Ni1 Rh1'
_cell_volume   58.26
_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
  Ti  Ti2  1  0.01  0.0  0.19  1.0
  Ti  Ti3  1  0.5  0.0  0.05  1.0
  Ni  Ni0  1  0.07  0.0  0.37  1.0
  Rh  Rh1  1  0.68  0.0  0.97  1.0

data_Ti2NiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.48
_cell_length_c   4.78
_cell_angle_alpha   101.42
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NiRh
_chemical_formula_sum   'Ti2 Ni1 Rh1'
_cell_volume   58.26
_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
  Ti  Ti0  1  0.0  0.05  0.5  1.0
  Ti  Ti1  1  0.0  0.19  0.01  1.0
  Ni  Ni2  1  0.0  0.37  0.07  1.0
  Rh  Rh3  1  0.0  0.97  0.68  1.0

Ti Ti Ni Rh
Ti Ti Ni Rh 0 2 o o o 1 3 o o - 