data_[La12Si4Sb2Br6]
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
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4614]
_cell_length_b [4.4533]
_cell_length_c [8.9298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Si2SbBr3]
_chemical_formula_sum '[La12 Si4 Sb2 Br6]'
_cell_volume [754.1594]
_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  0.0140  0.0000  0.2565  1.0
  La  La1  4  0.1690  0.5000  0.1173  1.0
  La  La2  4  0.1739  0.5000  0.5667  1.0
  Si  Si3  4  0.1682  0.0000  0.3370  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1634  0.0000  0.8350  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]