data_TiGaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.88
_cell_angle_alpha   102.99
_cell_angle_beta   102.99
_cell_angle_gamma   38.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaRh2
_chemical_formula_sum   'Ti1 Ga1 Rh2'
_cell_volume   59.47
_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
  Ga  Ga0  1  0.65  0.0  0.37  1.0
  Rh  Rh1  1  0.04  0.0  0.19  1.0
  Rh  Rh2  1  0.25  0.0  0.55  1.0

data_TiGaRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.48
_cell_length_c   4.88
_cell_angle_alpha   102.99
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaRh2
_chemical_formula_sum   'Ti1 Ga1 Rh2'
_cell_volume   59.47
_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
  Ga  Ga1  1  0.0  0.35  0.63  1.0
  Rh  Rh2  1  0.0  0.75  0.45  1.0
  Rh  Rh3  1  0.0  0.96  0.81  1.0

Ti Ga Rh Rh