data_[Sr4Nd2U2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2_1/c]
_cell_length_a [7.0202]
_cell_length_b [7.5189]
_cell_length_c [12.3959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2NdUS6]
_chemical_formula_sum '[Sr4 Nd2 U2 S12]'
_cell_volume [540.6957]
_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
[
  Sr  Sr0  4  0.2222  0.5804  0.7501  1
  Nd  Nd1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1128  0.7045  0.4336  1
  S  S4  4  0.2382  0.1860  0.4382  1
  S  S5  4  0.3609  0.5423  0.2397  1
]