data_[K1Re1H2Cl8]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5842]
_cell_length_b [7.3522]
_cell_length_c [7.9237]
_cell_angle_alpha [70.8838]
_cell_angle_beta [84.5245]
_cell_angle_gamma [83.9381]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KRe(HCl4)2]
_chemical_formula_sum '[K1 Re1 H2 Cl8]'
_cell_volume [359.6353]
_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  0.0000  0.5000  0.5000  1.0
  Re  Re1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3074  0.7970  0.6702  1.0
  Cl  Cl3  2  0.1684  0.0617  0.7089  1.0
  Cl  Cl4  2  0.1722  0.6936  0.0897  1.0
  Cl  Cl5  2  0.2631  0.1230  0.0877  1.0
  Cl  Cl6  2  0.3869  0.6388  0.6381  1.0
]