data_[Ti12Ga10Rh2]
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 [Immm]
_cell_length_a [3.9231]
_cell_length_b [7.9178]
_cell_length_c [12.0689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6Ga5Rh]
_chemical_formula_sum '[Ti12 Ga10 Rh2]'
_cell_volume [374.8871]
_cell_formula_units_Z [2]
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  8  0.0000  0.2495  0.1675  1.0
  Ti  Ti1  4  0.0000  0.2545  0.5000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.3355  1.0
  Ga  Ga3  4  0.0000  0.5000  0.3376  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh5  2  0.0000  0.0000  0.0000  1.0
]