data_[Li4Nd4Cu20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1677]
_cell_length_b [5.1611]
_cell_length_c [10.3234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiNdCu5]
_chemical_formula_sum '[Li4 Nd4 Cu20]'
_cell_volume [435.1770]
_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
[
  Li  Li0  4  0.1397  0.7500  0.8611  1
  Nd  Nd1  4  0.2440  0.2500  0.0634  1
  Cu  Cu2  8  0.0690  0.0037  0.3127  1
  Cu  Cu3  4  0.0631  0.7500  0.1041  1
  Cu  Cu4  4  0.0943  0.2500  0.5172  1
  Cu  Cu5  4  0.1808  0.2500  0.7510  1
]