data_[Nd4Cu4Cl4]
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/m]
_cell_length_a [7.1214]
_cell_length_b [4.1668]
_cell_length_c [10.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdCuCl]
_chemical_formula_sum '[Nd4 Cu4 Cl4]'
_cell_volume [316.6308]
_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  0.0794  0.0000  0.6839  1.0
  Cu  Cu1  4  0.1664  0.5000  0.4984  1.0
  Cl  Cl2  4  0.2094  0.0000  0.1547  1.0
]