data_[Li4Nd6S4O8]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9265]
_cell_length_b [3.9265]
_cell_length_c [20.9945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li2Nd3(SO2)2]
_chemical_formula_sum '[Li4 Nd6 S4 O8]'
_cell_volume [323.6869]
_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  4  0.0000  0.0000  0.4167  1
  Nd  Nd1  4  0.0000  0.0000  0.1542  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.0000  0.2973  1
  O  O4  8  0.0000  0.5000  0.0752  1
]