data_TiMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.02
_cell_angle_alpha   97.42
_cell_angle_beta   97.42
_cell_angle_gamma   33.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo2Rh
_chemical_formula_sum   'Ti1 Mo2 Rh1'
_cell_volume   62.65
_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  Ti3  1  0.67  0.0  0.59  1.0
  Mo  Mo0  1  0.04  0.0  0.09  1.0
  Mo  Mo1  1  0.88  0.0  0.15  1.0
  Rh  Rh2  1  0.18  0.0  0.63  1.0

data_TiMo2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.79
_cell_length_c   5.02
_cell_angle_alpha   97.42
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo2Rh
_chemical_formula_sum   'Ti1 Mo2 Rh1'
_cell_volume   62.65
_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  0.33  0.41  1.0
  Mo  Mo1  1  0.0  0.12  0.85  1.0
  Mo  Mo2  1  0.0  0.96  0.91  1.0
  Rh  Rh3  1  0.0  0.82  0.37  1.0

Ti Mo Mo Rh
Ti Mo Mo Rh 0 3 o o o 0 3 + o o 0 0 + - o 0 2 o o o 0 2 o o + 0 1 + o + 1 2 - o o 1 3 o o o 1 3 o o - 2 3 + o o 3 3 + - o 