data_[U1Tl2Cr1Cl8]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7683]
_cell_length_b [7.7063]
_cell_length_c [8.0773]
_cell_angle_alpha [76.1982]
_cell_angle_beta [73.0600]
_cell_angle_gamma [73.7537]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [UTl2CrCl8]
_chemical_formula_sum '[U1 Tl2 Cr1 Cl8]'
_cell_volume [381.2301]
_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  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.3932  0.3696  0.8286  1
  Cr  Cr2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.1721  0.6880  0.0419  1
  Cl  Cl4  2  0.2027  0.6574  0.5185  1
  Cl  Cl5  2  0.2265  0.0485  0.7052  1
  Cl  Cl6  2  0.2657  0.0760  0.1986  1
]