data_[Tl2Fe2Pt2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1688]
_cell_length_b [10.7039]
_cell_length_c [6.9519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlFePtCl6]
_chemical_formula_sum '[Tl2 Fe2 Pt2 Cl12]'
_cell_volume [530.7141]
_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
[
  Tl  Tl0  2  0.0000  0.9807  0.5000  1.0
  Fe  Fe1  2  0.0000  0.3179  0.0000  1.0
  Pt  Pt2  2  0.0000  0.6655  0.0000  1.0
  Cl  Cl3  4  0.1323  0.5039  0.1849  1.0
  Cl  Cl4  4  0.1353  0.1997  0.2380  1.0
  Cl  Cl5  4  0.1829  0.8163  0.1684  1.0
]