data_[Li4Re4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0249]
_cell_length_b [10.8360]
_cell_length_c [9.6419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiReBr5]
_chemical_formula_sum '[Li4 Re4 Br20]'
_cell_volume [902.1869]
_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  0.1205  0.2500  1
  Re  Re1  4  0.2500  0.2500  0.0000  1
  Br  Br2  8  0.1309  0.2922  0.1713  1
  Br  Br3  8  0.1706  0.0288  0.9761  1
  Br  Br4  4  0.0000  0.3340  0.7500  1
]