data_[Mn4Tl2Sb2Cl16]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3926]
_cell_length_b [7.5196]
_cell_length_c [7.8926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2TlSbCl8]
_chemical_formula_sum '[Mn4 Tl2 Sb2 Cl16]'
_cell_volume [788.1417]
_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  4  0.1821  0.5000  0.0853  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0964  0.2549  0.2034  1.0
  Cl  Cl4  4  0.1443  0.0000  0.7916  1.0
  Cl  Cl5  4  0.1716  0.5000  0.7980  1.0
]