data_[La12Ga2S4Br6]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2333]
_cell_length_b [12.5488]
_cell_length_c [7.9484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GaS2Br3]
_chemical_formula_sum '[La12 Ga2 S4 Br6]'
_cell_volume [687.2324]
_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  0.2436  0.1729  0.2113  1.0
  La  La1  4  0.2240  0.5000  0.2100  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.3327  0.0000  1.0
  Br  Br4  4  0.0000  0.1608  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]