data_[Nd1Y2U1S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9569]
_cell_length_b [8.2950]
_cell_length_c [6.3002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdY2US8]
_chemical_formula_sum '[Nd1 Y2 U1 S8]'
_cell_volume [311.2845]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Y  Y1  2  0.5000  0.2439  0.5000  1
  U  U2  1  0.0000  0.0000  0.0000  1
  S  S3  4  0.2486  0.2288  0.8672  1
  S  S4  2  0.2163  0.5000  0.4228  1
  S  S5  2  0.2434  0.0000  0.3410  1
]