data_[La8Ga2Br6]
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 [Cmmm]
_cell_length_a [8.6312]
_cell_length_b [12.4325]
_cell_length_c [4.4558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La4GaBr3]
_chemical_formula_sum '[La8 Ga2 Br6]'
_cell_volume [478.1394]
_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  0.0000  0.2406  0.5000  1.0
  La  La1  4  0.2335  0.0000  0.0000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.2500  0.2500  0.0000  1.0
  Br  Br4  2  0.0000  0.5000  0.5000  1.0
]