data_[K1Cr1Cu2Cl8]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0087]
_cell_length_b [6.6457]
_cell_length_c [8.3890]
_cell_angle_alpha [71.6751]
_cell_angle_beta [80.5831]
_cell_angle_gamma [86.0973]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCr(CuCl4)2]
_chemical_formula_sum '[K1 Cr1 Cu2 Cl8]'
_cell_volume [313.6676]
_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
  Cr  Cr1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.4265  0.9969  0.7056  1
  Cl  Cl3  2  0.1490  0.9815  0.2484  1
  Cl  Cl4  2  0.2643  0.7441  0.9463  1
  Cl  Cl5  2  0.2687  0.2506  0.8311  1
  Cl  Cl6  2  0.4905  0.2497  0.4409  1
]