data_[U4Si2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5268]
_cell_length_b [3.7122]
_cell_length_c [10.7592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2SiS6]
_chemical_formula_sum '[U4 Si2 S12]'
_cell_volume [456.3929]
_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
[
  U  U0  4  0.1860  0.5000  0.2966  1
  Si  Si1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.0143  0.0000  0.2174  1
  S  S3  4  0.1578  0.5000  0.5270  1
  S  S4  4  0.1948  0.0000  0.1154  1
]