data_[K2Re1Br1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7675]
_cell_length_b [7.2310]
_cell_length_c [8.7053]
_cell_angle_alpha [71.4372]
_cell_angle_beta [73.1150]
_cell_angle_gamma [69.5556]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2ReBrCl6]
_chemical_formula_sum '[K2 Re1 Br1 Cl6]'
_cell_volume [370.6196]
_cell_formula_units_Z [1]
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  1  0.4113  0.6099  0.4980  1
  K  K1  1  0.9327  0.9799  0.0875  1
  Re  Re2  1  0.3402  0.3457  0.0017  1
  Br  Br3  1  0.9149  0.6708  0.4431  1
  Cl  Cl4  1  0.0180  0.4183  0.1809  1
  Cl  Cl5  1  0.1686  0.3045  0.8198  1
  Cl  Cl6  1  0.2884  0.6930  0.8621  1
  Cl  Cl7  1  0.4023  0.9935  0.1405  1
  Cl  Cl8  1  0.5251  0.3843  0.1736  1
  Cl  Cl9  1  0.6600  0.2617  0.8079  1
]