data_[K4Re2Br4Cl8]
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 [C2/m]
_cell_length_a [12.5591]
_cell_length_b [7.2010]
_cell_length_c [7.3660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Re(BrCl2)2]
_chemical_formula_sum '[K4 Re2 Br4 Cl8]'
_cell_volume [550.3338]
_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
[
  K  K0  4  0.2468  0.5000  0.7238  1
  Re  Re1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.2398  0.0000  0.8013  1
  Cl  Cl3  8  0.0336  0.2330  0.3083  1
]