data_[Nd12U4S28]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.1792]
_cell_length_b [13.2436]
_cell_length_c [9.5592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3US7]
_chemical_formula_sum '[Nd12 U4 S28]'
_cell_volume [1162.0711]
_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  8  0.2273  0.2244  0.2500  1
  Nd  Nd1  4  0.0000  0.5000  0.0000  1
  U  U2  4  0.0000  0.0000  0.0000  1
  S  S3  16  0.2121  0.1272  0.5306  1
  S  S4  4  0.0000  0.0788  0.2500  1
  S  S5  4  0.0000  0.3647  0.2500  1
  S  S6  4  0.0000  0.3723  0.7500  1
]