data_[La12Sb2Ir4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6378]
_cell_length_b [4.3330]
_cell_length_c [9.3358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SbIr2Br3]
_chemical_formula_sum '[La12 Sb2 Ir4 Br6]'
_cell_volume [761.3746]
_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  0.0224  0.0000  0.2574  1
  La  La1  4  0.1703  0.5000  0.1331  1
  La  La2  4  0.1800  0.5000  0.5576  1
  Sb  Sb3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.1702  0.0000  0.3391  1
  Br  Br5  4  0.1584  0.0000  0.8397  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]