data_[Mn1Tl2Pb1Cl6]
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 [P-1]
_cell_length_a [7.3877]
_cell_length_b [7.4308]
_cell_length_c [7.4679]
_cell_angle_alpha [90.5782]
_cell_angle_beta [118.5552]
_cell_angle_gamma [119.1672]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl2PbCl6]
_chemical_formula_sum '[Mn1 Tl2 Pb1 Cl6]'
_cell_volume [298.2288]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.4960  0.7625  0.2255  1.0
  Pb  Pb2  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.0175  0.3019  0.8360  1.0
  Cl  Cl4  2  0.0628  0.2022  0.3209  1.0
  Cl  Cl5  2  0.4700  0.1885  0.1939  1.0
]