data_[La12Ga2Ge4Br6]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2212]
_cell_length_b [4.4473]
_cell_length_c [8.8745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GaGe2Br3]
_chemical_formula_sum '[La12 Ga2 Ge4 Br6]'
_cell_volume [741.0659]
_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  0.0058  0.0000  0.2370  1.0
  La  La1  4  0.1618  0.5000  0.0981  1.0
  La  La2  4  0.1732  0.5000  0.5680  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1669  0.0000  0.3338  1.0
  Br  Br5  4  0.1668  0.0000  0.8320  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]