data_[U1Sn3Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [8.1901]
_cell_length_b [18.4946]
_cell_length_c [7.9079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [USn3Cl8]
_chemical_formula_sum '[U1 Sn3 Cl8]'
_cell_volume [1197.8318]
_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  1  0.5000  0.0000  0.9899  1
  Sn  Sn1  2  0.1937  0.0000  0.4657  1
  Sn  Sn2  1  0.0000  0.0000  0.0998  1
  Cl  Cl3  4  0.2829  0.0912  0.1397  1
  Cl  Cl4  2  0.0000  0.0951  0.6216  1
  Cl  Cl5  2  0.5000  0.0908  0.7480  1
]