data_[K4Mg4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1049]
_cell_length_b [11.8281]
_cell_length_c [9.2898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMgCuCl5]
_chemical_formula_sum '[K4 Mg4 Cu4 Cl20]'
_cell_volume [826.6314]
_cell_formula_units_Z [4]
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  0.0000  0.3295  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3242  0.7500  1.0
  Cl  Cl3  8  0.0780  0.2043  0.5929  1.0
  Cl  Cl4  8  0.1666  0.4477  0.9336  1.0
  Cl  Cl5  4  0.0000  0.0661  0.2500  1.0
]