data_[La12Ge2As4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6123]
_cell_length_b [13.1548]
_cell_length_c [7.7035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GeAs2Br3]
_chemical_formula_sum '[La12 Ge2 As4 Br6]'
_cell_volume [728.3135]
_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  0.2394  0.1664  0.2183  1.0
  La  La1  4  0.2401  0.5000  0.2186  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  As  As3  4  0.0000  0.3333  0.0000  1.0
  Br  Br4  4  0.0000  0.1661  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]