data_[U2Br6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [10.0781]
_cell_length_b [4.2571]
_cell_length_c [9.5022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [UBr3Cl]
_chemical_formula_sum '[U2 Br6 Cl2]'
_cell_volume [407.6737]
_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  0.2500  0.0000  0.7405  1
  Br  Br1  4  0.0590  0.5000  0.7399  1
  Br  Br2  2  0.2500  0.0000  0.0219  1
  Cl  Cl3  2  0.2500  0.0000  0.4770  1
]