data_[Tm2Tl2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0067]
_cell_length_b [10.9786]
_cell_length_c [7.1381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TmTlCuCl6]
_chemical_formula_sum '[Tm2 Tl2 Cu2 Cl12]'
_cell_volume [546.7899]
_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
[
  Tm  Tm0  2  0.0000  0.6801  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0087  0.0000  1.0
  Cu  Cu2  2  0.0000  0.3350  0.5000  1.0
  Cl  Cl3  4  0.1181  0.4858  0.7031  1.0
  Cl  Cl4  4  0.1748  0.8138  0.7483  1.0
  Cl  Cl5  4  0.1794  0.1887  0.6703  1.0
]