data_[Li3Nd9Cu24]
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 [R3m]
_cell_length_a [5.2210]
_cell_length_b [5.2210]
_cell_length_c [25.8774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiNd3Cu8]
_chemical_formula_sum '[Li3 Nd9 Cu24]'
_cell_volume [610.8874]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8709  1.0
  Nd  Nd1  3  0.0000  0.0000  0.3804  1.0
  Nd  Nd2  3  0.0000  0.0000  0.5067  1.0
  Nd  Nd3  3  0.0000  0.0000  0.9906  1.0
  Cu  Cu4  9  0.0025  0.5013  0.4396  1.0
  Cu  Cu5  9  0.0083  0.5041  0.9357  1.0
  Cu  Cu6  3  0.0000  0.0000  0.1889  1.0
  Cu  Cu7  3  0.0000  0.0000  0.6867  1.0
]