data_[Ga12Ir6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3794]
_cell_length_b [6.5794]
_cell_length_c [10.0217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga6Ir3Rh]
_chemical_formula_sum '[Ga12 Ir6 Rh2]'
_cell_volume [330.7083]
_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
[
  Ga  Ga0  4  0.0826  0.6506  0.9367  1
  Ga  Ga1  4  0.2822  0.1570  0.9301  1
  Ga  Ga2  4  0.4712  0.5545  0.7450  1
  Ir  Ir3  4  0.2095  0.6596  0.2511  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
  Rh  Rh5  2  0.0000  0.0000  0.0000  1
]