data_[La12Si6Br2Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0176]
_cell_length_b [4.3724]
_cell_length_c [8.7233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Si3BrCl2]
_chemical_formula_sum '[La12 Si6 Br2 Cl4]'
_cell_volume [706.2984]
_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  0.0042  0.0000  0.7329  1.0
  La  La1  4  0.1613  0.5000  0.5967  1.0
  La  La2  4  0.1736  0.5000  0.0711  1.0
  Si  Si3  4  0.1659  0.0000  0.8327  1.0
  Si  Si4  2  0.0000  0.5000  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1678  0.0000  0.3347  1.0
]