data_[La6Ga4Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1512]
_cell_length_b [4.2173]
_cell_length_c [9.4574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(GaBr)2]
_chemical_formula_sum '[La6 Ga4 Br4]'
_cell_volume [424.7532]
_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  0.2019  0.0000  0.7103  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1881  0.5000  0.9397  1.0
  Br  Br3  4  0.0999  0.0000  0.3554  1.0
]