data_[U12B4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.4590]
_cell_length_b [12.9011]
_cell_length_c [6.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [U3BS6]
_chemical_formula_sum '[U12 B4 S24]'
_cell_volume [852.6449]
_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
[
  U  U0  8  0.1754  0.0983  0.4838  1
  U  U1  4  0.0000  0.3921  0.4039  1
  B  B2  4  0.0000  0.1998  0.0305  1
  S  S3  8  0.1520  0.2565  0.1652  1
  S  S4  8  0.1600  0.4724  0.6966  1
  S  S5  4  0.0000  0.0553  0.1361  1
  S  S6  4  0.0000  0.2145  0.7235  1
]