data_[Li4Ga2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.7123]
_cell_length_b [6.8853]
_cell_length_c [10.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li2GaBr6]
_chemical_formula_sum '[Li4 Ga2 Br12]'
_cell_volume [483.4209]
_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
[
  Li  Li0  4  0.0000  0.5000  0.3254  1
  Ga  Ga1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.2200  0.1700  0.3342  1
  Br  Br3  4  0.2256  0.6971  0.5000  1
]