data_[Li4Ga8Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2967]
_cell_length_b [18.7858]
_cell_length_c [13.9754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiGa2SnBr5]
_chemical_formula_sum '[Li4 Ga8 Sn4 Br20]'
_cell_volume [1128.0561]
_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  0.0000  0.4443  0.4274  1.0
  Ga  Ga1  4  0.0000  0.0768  0.6572  1.0
  Ga  Ga2  4  0.0000  0.1274  0.3248  1.0
  Sn  Sn3  4  0.0000  0.2107  0.0388  1.0
  Br  Br4  4  0.0000  0.0443  0.0257  1.0
  Br  Br5  4  0.0000  0.2854  0.6905  1.0
  Br  Br6  4  0.0000  0.3084  0.3911  1.0
  Br  Br7  4  0.0000  0.3639  0.9993  1.0
  Br  Br8  4  0.0000  0.4931  0.7692  1.0
]