data_[Li6Ga12Br6]
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 [R3m]
_cell_length_a [4.1434]
_cell_length_b [4.1434]
_cell_length_c [39.1337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiGa2Br]
_chemical_formula_sum '[Li6 Ga12 Br6]'
_cell_volume [581.8184]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.1907  1
  Li  Li1  3  0.0000  0.0000  0.4337  1
  Ga  Ga2  3  0.0000  0.0000  0.3476  1
  Ga  Ga3  3  0.0000  0.0000  0.6428  1
  Ga  Ga4  3  0.0000  0.0000  0.7122  1
  Ga  Ga5  3  0.0000  0.0000  0.9523  1
  Br  Br6  3  0.0000  0.0000  0.1261  1
  Br  Br7  3  0.0000  0.0000  0.8803  1
]