data_[Li9Nd9Sb3S24]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0643]
_cell_length_b [8.0643]
_cell_length_c [18.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3Nd3SbS8]
_chemical_formula_sum '[Li9 Nd9 Sb3 S24]'
_cell_volume [1041.6469]
_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  9  0.0000  0.5000  0.5000  1.0
  Nd  Nd1  9  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  3  0.0000  0.0000  0.0000  1.0
  S  S3  18  0.0237  0.5119  0.7489  1.0
  S  S4  6  0.0000  0.0000  0.2482  1.0
]