data_[La24Ga3Ge9Br12]
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 [R-3m]
_cell_length_a [8.9002]
_cell_length_b [8.9002]
_cell_length_c [21.6896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La8GaGe3Br4]
_chemical_formula_sum '[La24 Ga3 Ge9 Br12]'
_cell_volume [1487.9274]
_cell_formula_units_Z [3]
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  18  0.0001  0.5001  0.7589  1.0
  La  La1  6  0.0000  0.0000  0.2405  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1.0
  Ge  Ge3  9  0.0000  0.5000  0.5000  1.0
  Br  Br4  9  0.0000  0.5000  0.0000  1.0
  Br  Br5  3  0.0000  0.0000  0.0000  1.0
]