data_[La12Ga4Br6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  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 [7.5498]
_cell_length_b [13.1116]
_cell_length_c [7.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ga2Br3Cl]
_chemical_formula_sum '[La12 Ga4 Br6 Cl2]'
_cell_volume [716.0462]
_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  0.2442  0.1680  0.2294  1
  La  La1  4  0.2401  0.5000  0.2314  1
  Ga  Ga2  4  0.0000  0.3340  0.0000  1
  Br  Br3  4  0.0000  0.1715  0.5000  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]