data_[K8Re4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [20.9957]
_cell_length_b [3.7020]
_cell_length_c [7.8027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2ReBr]
_chemical_formula_sum '[K8 Re4 Br4]'
_cell_volume [565.3618]
_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
[
  K  K0  2  0.0245  0.0000  0.0324  1
  K  K1  2  0.0962  0.0000  0.5738  1
  K  K2  2  0.2942  0.5000  0.8169  1
  K  K3  2  0.3597  0.5000  0.3782  1
  Re  Re4  2  0.1863  0.5000  0.2604  1
  Re  Re5  2  0.1974  0.0000  0.0919  1
  Br  Br6  2  0.4071  0.0000  0.7442  1
  Br  Br7  2  0.4757  0.0000  0.3083  1
]