data_[Li4Au4Br14]
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/m]
_cell_length_a [8.0023]
_cell_length_b [11.9609]
_cell_length_c [7.6230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Au2Br7]
_chemical_formula_sum '[Li4 Au4 Br14]'
_cell_volume [725.4726]
_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  0.3337  0.5000  1
  Au  Au1  4  0.2175  0.5000  0.7951  1
  Br  Br2  8  0.2298  0.2939  0.7539  1
  Br  Br3  4  0.1016  0.5000  0.2926  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]