data_[U2S2Br4]
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 [C2/m]
_cell_length_a [16.6298]
_cell_length_b [4.3332]
_cell_length_c [3.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [USBr2]
_chemical_formula_sum '[U2 S2 Br4]'
_cell_volume [246.8528]
_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  2  0.0000  0.5000  0.0000  1
  S  S1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.1457  0.5000  0.6283  1
]