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 [Amm2]
_cell_length_a [3.6334]
_cell_length_b [9.6803]
_cell_length_c [15.2773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K2ReBr]
_chemical_formula_sum '[K8 Re4 Br4]'
_cell_volume [537.3335]
_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  4  0.5000  0.1799  0.3469  1
  K  K1  4  0.5000  0.2400  0.6042  1
  Re  Re2  2  0.0000  0.0000  0.8155  1
  Re  Re3  2  0.5000  0.0000  0.9106  1
  Br  Br4  2  0.0000  0.0000  0.2018  1
  Br  Br5  2  0.0000  0.0000  0.4942  1
]