data_TiAlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   147.5
_cell_angle_beta   147.5
_cell_angle_gamma   46.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlRh
_chemical_formula_sum   'Ti1 Al1 Rh1'
_cell_volume   44.71
_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  0.0  0.0  0.66  1.0
  Al  Al0  1  0.0  0.0  0.77  1.0
  Rh  Rh1  1  0.0  0.0  0.32  1.0

data_TiAlRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiAlRh
_chemical_formula_sum   'Ti2 Al2 Rh2'
_cell_volume   89.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.34  1.0
  Al  Al1  2  0.0  0.0  0.23  1.0
  Rh  Rh2  2  0.0  0.0  0.68  1.0

Ti Al Rh