data_[Mn2Tl2Fe4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5333]
_cell_length_b [7.2239]
_cell_length_c [9.3184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnTl(FeCl4)2]
_chemical_formula_sum '[Mn2 Tl2 Fe4 Cl16]'
_cell_volume [706.5660]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  4  0.1235  0.5000  0.7901  1
  Cl  Cl3  8  0.0073  0.2464  0.2014  1
  Cl  Cl4  4  0.1988  0.5000  0.5767  1
  Cl  Cl5  4  0.2403  0.0000  0.0104  1
]