data_[La12Ir4Au2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4227]
_cell_length_b [12.8517]
_cell_length_c [8.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2AuBr3]
_chemical_formula_sum '[La12 Ir4 Au2 Br6]'
_cell_volume [750.7070]
_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  8  0.2425  0.1761  0.1991  1.0
  La  La1  4  0.2139  0.5000  0.1989  1.0
  Ir  Ir2  4  0.0000  0.3333  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1666  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]