data_[Tl2Fe2Co2Cl12]
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
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.3445]
_cell_length_b [10.6551]
_cell_length_c [7.1220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlFeCoCl6]
_chemical_formula_sum '[Tl2 Fe2 Co2 Cl12]'
_cell_volume [481.2980]
_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  0.9995  0.0000  1.0
  Fe  Fe1  2  0.0000  0.3270  0.5000  1.0
  Co  Co2  2  0.0000  0.6664  0.5000  1.0
  Cl  Cl3  4  0.1242  0.5083  0.6863  1.0
  Cl  Cl4  4  0.1706  0.8111  0.6858  1.0
  Cl  Cl5  4  0.1962  0.1840  0.6864  1.0
]