data_[Tl4Fe2Ag2Cl12]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1311]
_cell_length_b [7.2452]
_cell_length_c [12.4148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2FeAgCl6]
_chemical_formula_sum '[Tl4 Fe2 Ag2 Cl12]'
_cell_volume [526.2162]
_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  4  0.2609  0.5499  0.7506  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1741  0.5067  0.2341  1.0
  Cl  Cl4  4  0.2235  0.2285  0.0291  1.0
  Cl  Cl5  4  0.3021  0.6958  0.0304  1.0
]