data_[K1Cr1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  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 [6.2167]
_cell_length_b [6.4886]
_cell_length_c [8.7552]
_cell_angle_alpha [74.2954]
_cell_angle_beta [80.8284]
_cell_angle_gamma [76.0655]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCr(HCl4)2]
_chemical_formula_sum '[K1 Cr1 H2 Cl8]'
_cell_volume [328.2976]
_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  0.0000  0.5000  1
  Cr  Cr1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.4407  0.7373  0.7668  1
  Cl  Cl3  2  0.0823  0.2269  0.7615  1
  Cl  Cl4  2  0.0884  0.2266  0.1240  1
  Cl  Cl5  2  0.3593  0.8090  0.9965  1
  Cl  Cl6  2  0.4897  0.7042  0.6218  1
]