data_[La12Ga4Si2Br6]
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
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6993]
_cell_length_b [13.3305]
_cell_length_c [7.6280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ga2SiBr3]
_chemical_formula_sum '[La12 Ga4 Si2 Br6]'
_cell_volume [737.5012]
_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  0.2399  0.1644  0.2264  1.0
  La  La1  4  0.2460  0.5000  0.2254  1.0
  Ga  Ga2  4  0.0000  0.3328  0.0000  1.0
  Si  Si3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1664  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]