data_[Li6Nd3Ag27]
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 [R-3m]
_cell_length_a [5.5555]
_cell_length_b [5.5555]
_cell_length_c [28.0047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2NdAg9]
_chemical_formula_sum '[Li6 Nd3 Ag27]'
_cell_volume [748.5300]
_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  6  0.0000  0.0000  0.1482  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  18  0.0024  0.5012  0.9145  1.0
  Ag  Ag3  6  0.0000  0.0000  0.3329  1.0
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1.0
]