data_[Li3Nd1Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2292]
_cell_length_b [5.2292]
_cell_length_c [7.3529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li3NdPb4]
_chemical_formula_sum '[Li3 Nd1 Pb4]'
_cell_volume [201.0627]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Li  Li1  1  0.5000  0.5000  0.0000  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  Nd  Nd3  1  0.0000  0.0000  0.5000  1
  Pb  Pb4  4  0.0000  0.5000  0.2225  1
]