data_[Tl2Fe2Co4Cl16]
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/m]
_cell_length_a [10.0347]
_cell_length_b [6.8025]
_cell_length_c [9.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlFe(CoCl4)2]
_chemical_formula_sum '[Tl2 Fe2 Co4 Cl16]'
_cell_volume [631.8018]
_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  0.0000  0.5000  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.1238  0.5000  0.8046  1.0
  Cl  Cl3  8  0.0132  0.2371  0.1799  1.0
  Cl  Cl4  4  0.1880  0.5000  0.5858  1.0
  Cl  Cl5  4  0.2259  0.0000  0.0017  1.0
]