data_[Tl2Fe4Co2Cl16]
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 [10.4208]
_cell_length_b [7.0736]
_cell_length_c [9.2375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlFe2CoCl8]
_chemical_formula_sum '[Tl2 Fe4 Co2 Cl16]'
_cell_volume [678.0921]
_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  4  0.1230  0.5000  0.7953  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0072  0.2429  0.1942  1.0
  Cl  Cl4  4  0.1939  0.5000  0.5776  1.0
  Cl  Cl5  4  0.2306  0.0000  0.0132  1.0
]