data_[Li2Nd4S8]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8580]
_cell_length_b [5.5702]
_cell_length_c [8.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(NdS2)2]
_chemical_formula_sum '[Li2 Nd4 S8]'
_cell_volume [297.6293]
_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  2  0.2356  0.2500  0.1835  1.0
  Nd  Nd1  2  0.2267  0.7500  0.4361  1.0
  Nd  Nd2  2  0.2449  0.7500  0.9324  1.0
  S  S3  4  0.4876  0.0096  0.7446  1.0
  S  S4  2  0.0631  0.2500  0.8944  1.0
  S  S5  2  0.0662  0.2500  0.3882  1.0
]