data_[La12Si4Ir2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  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 [19.3142]
_cell_length_b [4.3055]
_cell_length_c [9.1310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Si2IrBr3]
_chemical_formula_sum '[La12 Si4 Ir2 Br6]'
_cell_volume [732.0942]
_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  0.0050  0.0000  0.2229  1
  La  La1  4  0.1505  0.5000  0.1032  1
  La  La2  4  0.1750  0.5000  0.5678  1
  Si  Si3  4  0.1638  0.0000  0.3383  1
  Ir  Ir4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1736  0.0000  0.8377  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]