data_[Li12Nd8Zn16]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.9057]
_cell_length_b [15.5397]
_cell_length_c [7.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(NdZn2)2]
_chemical_formula_sum '[Li12 Nd8 Zn16]'
_cell_volume [732.2464]
_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  8  0.2500  0.2203  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  8  0.0000  0.1141  0.5823  1.0
  Zn  Zn3  8  0.0000  0.1785  0.9763  1.0
  Zn  Zn4  8  0.2500  0.0516  0.2500  1.0
]