data_[Nd4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [13.6388]
_cell_length_b [12.2378]
_cell_length_c [6.6147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd(CuCl3)2]
_chemical_formula_sum '[Nd4 Cu8 Cl24]'
_cell_volume [1073.4958]
_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
[
  Nd  Nd0  4  0.0000  0.1075  0.7500  1.0
  Cu  Cu1  8  0.1303  0.4249  0.7254  1.0
  Cl  Cl2  8  0.1148  0.0627  0.1376  1.0
  Cl  Cl3  8  0.1277  0.4193  0.0636  1.0
  Cl  Cl4  8  0.1303  0.2511  0.6320  1.0
]