data_[K4Rb4Cu4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0162]
_cell_length_b [5.4317]
_cell_length_c [8.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRbCuCl3]
_chemical_formula_sum '[K4 Rb4 Cu4 Cl12]'
_cell_volume [739.5785]
_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  0.1435  0.5000  0.5710  1.0
  Rb  Rb1  4  0.1436  0.5000  0.0717  1.0
  Cu  Cu2  4  0.0023  0.0000  0.2620  1.0
  Cl  Cl3  4  0.0009  0.5000  0.2618  1.0
  Cl  Cl4  4  0.1434  0.0000  0.8139  1.0
  Cl  Cl5  4  0.1483  0.0000  0.3309  1.0
]