data_[Mn3Tl3Pb6Cl18]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5581]
_cell_length_b [7.5581]
_cell_length_c [19.1842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnTl(PbCl3)2]
_chemical_formula_sum '[Mn3 Tl3 Pb6 Cl18]'
_cell_volume [949.0666]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6638  1
  Tl  Tl1  3  0.0000  0.0000  0.2201  1
  Pb  Pb2  3  0.0000  0.0000  0.0319  1
  Pb  Pb3  3  0.0000  0.0000  0.4785  1
  Cl  Cl4  9  0.0400  0.6116  0.2485  1
  Cl  Cl5  9  0.0603  0.3714  0.3996  1
]