data_[Tb2Tl2Cr2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [C2]
_cell_length_a [7.0077]
_cell_length_b [11.3934]
_cell_length_c [7.1913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TbTlCrCl6]
_chemical_formula_sum '[Tb2 Tl2 Cr2 Cl12]'
_cell_volume [573.3052]
_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
[
  Tb  Tb0  2  0.0000  0.6770  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0017  0.5000  1.0
  Cr  Cr2  2  0.0000  0.3358  0.0000  1.0
  Cl  Cl3  4  0.1262  0.4878  0.2024  1.0
  Cl  Cl4  4  0.1738  0.1896  0.1844  1.0
  Cl  Cl5  4  0.1812  0.8154  0.2386  1.0
]