data_[Li4Ga4Br12]
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 [P2_1/c]
_cell_length_a [6.9601]
_cell_length_b [6.9754]
_cell_length_c [15.0810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiGaBr3]
_chemical_formula_sum '[Li4 Ga4 Br12]'
_cell_volume [678.5050]
_cell_formula_units_Z [4]
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  0.1576  0.0064  0.6224  1.0
  Ga  Ga1  4  0.3630  0.5584  0.9281  1.0
  Br  Br2  4  0.1119  0.1611  0.3234  1.0
  Br  Br3  4  0.1320  0.7490  0.4828  1.0
  Br  Br4  4  0.4899  0.2272  0.6715  1.0
]