data_[Li16Nd2Ag8]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.3492]
_cell_length_b [9.3492]
_cell_length_c [5.6674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li8NdAg4]
_chemical_formula_sum '[Li16 Nd2 Ag8]'
_cell_volume [495.3767]
_cell_formula_units_Z [2]
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  0.0000  0.2211  0.5000  1.0
  Li  Li1  8  0.0000  0.3489  0.0000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  8  0.2500  0.2500  0.2500  1.0
]