data_[U2Tl4Fe4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8579]
_cell_length_b [3.7485]
_cell_length_c [8.0272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTl2(FeS2)2]
_chemical_formula_sum '[U2 Tl4 Fe4 S8]'
_cell_volume [398.1667]
_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  0.0000  0.0000  1
  Tl  Tl1  4  0.1396  0.0000  0.5711  1
  Fe  Fe2  4  0.1811  0.5000  0.9831  1
  S  S3  4  0.0260  0.5000  0.7748  1
  S  S4  4  0.1987  0.0000  0.1713  1
]