data_[K4Nd2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7287]
_cell_length_b [8.3541]
_cell_length_c [12.1292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NdCuCl6]
_chemical_formula_sum '[K4 Nd2 Cu2 Cl12]'
_cell_volume [607.4178]
_cell_formula_units_Z [2]
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  0.2675  0.5816  0.7525  1.0
  Nd  Nd1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1181  0.5352  0.2147  1.0
  Cl  Cl4  4  0.2512  0.1618  0.0503  1.0
  Cl  Cl5  4  0.3869  0.7150  0.0488  1.0
]