data_TiRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.64
_cell_angle_alpha   100.59
_cell_angle_beta   100.59
_cell_angle_gamma   34.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRuRh2
_chemical_formula_sum   'Ti1 Ru1 Rh2'
_cell_volume   57.76
_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
  Ru  Ru2  1  0.09  0.0  0.27  1.0
  Rh  Rh0  1  0.58  0.0  0.16  1.0
  Rh  Rh1  1  0.6  0.0  0.39  1.0

data_TiRuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.64
_cell_length_c   4.74
_cell_angle_alpha   100.59
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRuRh2
_chemical_formula_sum   'Ti1 Ru1 Rh2'
_cell_volume   57.76
_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
  Ru  Ru1  1  0.0  0.27  0.09  1.0
  Rh  Rh2  1  0.0  0.16  0.58  1.0
  Rh  Rh3  1  0.0  0.39  0.6  1.0

Ti Ru Rh Rh
Ti Ru Rh Rh 0 1 o o o 2 3 o o o 