data_[La6Ga8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7767]
_cell_length_b [4.6104]
_cell_length_c [8.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(Ga2Ir)2]
_chemical_formula_sum '[La6 Ga8 Ir4]'
_cell_volume [409.2750]
_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
[
  La  La0  4  0.1154  0.5000  0.6996  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1040  0.0000  0.4111  1.0
  Ga  Ga3  4  0.2174  0.5000  0.0827  1.0
  Ir  Ir4  4  0.1859  0.5000  0.3676  1.0
]