data_[Ti3Ga6Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2956]
_cell_length_b [4.2956]
_cell_length_c [12.2510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TiGa2Rh]
_chemical_formula_sum '[Ti3 Ga6 Rh3]'
_cell_volume [195.7729]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4863  1
  Ga  Ga1  3  0.0000  0.0000  0.0543  1
  Ga  Ga2  3  0.0000  0.0000  0.2665  1
  Rh  Rh3  3  0.0000  0.0000  0.6930  1
]