data_[Li4Nd4S4O4]
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 [P2_1/c]
_cell_length_a [5.8174]
_cell_length_b [6.7746]
_cell_length_c [6.3818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNdSO]
_chemical_formula_sum '[Li4 Nd4 S4 O4]'
_cell_volume [250.0987]
_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  4  0.1037  0.7051  0.5266  1
  Nd  Nd1  4  0.3762  0.0615  0.7329  1
  S  S2  4  0.1190  0.0798  0.2737  1
  O  O3  4  0.4274  0.7252  0.4862  1
]