data_[La12Ir4S2Br4]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5082]
_cell_length_b [12.6125]
_cell_length_c [7.7055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2SBr2]
_chemical_formula_sum '[La12 Ir4 S2 Br4]'
_cell_volume [694.9484]
_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  0.2410  0.1699  0.7100  1.0
  La  La1  4  0.2116  0.5000  0.7112  1.0
  Ir  Ir2  4  0.0000  0.3301  0.5000  1.0
  S  S3  2  0.0000  0.0000  0.5000  1.0
  Br  Br4  4  0.0000  0.1617  0.0000  1.0
]