data_[U4S6Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.4660]
_cell_length_b [8.4660]
_cell_length_c [3.7716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [U4S6Br]
_chemical_formula_sum '[U4 S6 Br1]'
_cell_volume [234.1041]
_cell_formula_units_Z [1]
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  3  0.3617  0.1808  0.5000  1
  U  U1  1  0.3333  0.6667  0.0000  1
  S  S2  3  0.1948  0.3895  0.5000  1
  S  S3  3  0.5415  0.0829  0.0000  1
  Br  Br4  1  0.0000  0.0000  0.0000  1
]