data_[La12Sn2Ir4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  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 [7.5858]
_cell_length_b [13.0765]
_cell_length_c [8.1421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SnIr2Br3]
_chemical_formula_sum '[La12 Sn2 Ir4 Br6]'
_cell_volume [766.7832]
_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  0.2486  0.3174  0.7932  1.0
  La  La1  4  0.2046  0.5000  0.2056  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3329  0.0000  1.0
  Br  Br4  4  0.0000  0.1590  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]