data_TiMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.82
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   91.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoRh2
_chemical_formula_sum   'Ti1 Mo1 Rh2'
_cell_volume   59.43
_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  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.92  0.0  0.77  1.0
  Rh  Rh1  1  0.31  0.91  0.15  1.0
  Rh  Rh2  1  0.35  0.91  0.38  1.0

data_TiMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.82
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   91.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoRh2
_chemical_formula_sum   'Ti1 Mo1 Rh2'
_cell_volume   59.43
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.92  0.0  0.77  1.0
  Rh  Rh2  1  0.31  0.91  0.15  1.0
  Rh  Rh3  1  0.35  0.91  0.38  1.0

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