data_[U4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5410]
_cell_length_b [3.6677]
_cell_length_c [18.9103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2InS6]
_chemical_formula_sum '[U4 In2 S12]'
_cell_volume [1355.2927]
_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  0.1551  0.0000  0.5254  1
  In  In1  2  0.0000  0.5000  0.5000  1
  S  S2  4  0.0842  0.5000  0.6034  1
  S  S3  4  0.1136  0.5000  0.4300  1
  S  S4  4  0.2438  0.5000  0.5734  1
]