data_[Nd8U4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  U  1.3800  1.7500  0.9913
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8752]
_cell_length_b [16.5075]
_cell_length_c [12.0755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2UCuS5]
_chemical_formula_sum '[Nd8 U4 Cu4 S20]'
_cell_volume [772.4729]
_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
[
  Nd  Nd0  4  0.0000  0.1150  0.6929  1
  Nd  Nd1  4  0.0000  0.1173  0.3459  1
  U  U2  4  0.0000  0.1805  0.0273  1
  Cu  Cu3  4  0.0000  0.4508  0.4207  1
  S  S4  4  0.0000  0.0186  0.0146  1
  S  S5  4  0.0000  0.3005  0.6874  1
  S  S6  4  0.0000  0.3143  0.3640  1
  S  S7  4  0.0000  0.3455  0.0204  1
  S  S8  4  0.0000  0.4924  0.7507  1
]