data_[Li4Nd8U4S20]
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
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9641]
_cell_length_b [16.5440]
_cell_length_c [11.9617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2US5]
_chemical_formula_sum '[Li4 Nd8 U4 S20]'
_cell_volume [784.4762]
_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  0.0000  0.4833  0.4748  1
  Nd  Nd1  4  0.0000  0.1089  0.6877  1
  Nd  Nd2  4  0.0000  0.1260  0.2990  1
  U  U3  4  0.0000  0.2003  0.0054  1
  S  S4  4  0.0000  0.0490  0.0669  1
  S  S5  4  0.0000  0.2879  0.6620  1
  S  S6  4  0.0000  0.3092  0.3478  1
  S  S7  4  0.0000  0.3648  0.0002  1
  S  S8  4  0.0000  0.4989  0.7803  1
]