data_[Li4Au4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9944]
_cell_length_b [8.3818]
_cell_length_c [10.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiAuBr5]
_chemical_formula_sum '[Li4 Au4 Br20]'
_cell_volume [877.5177]
_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  0.4176  0.7500  1
  Au  Au1  4  0.2500  0.2500  0.5000  1
  Br  Br2  8  0.1203  0.2147  0.6273  1
  Br  Br3  8  0.2451  0.3951  0.9886  1
  Br  Br4  4  0.0000  0.2759  0.2500  1
]