data_[Mn2Zn2Pb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.5263]
_cell_length_b [6.5263]
_cell_length_c [12.5661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [MnZnPbCl6]
_chemical_formula_sum '[Mn2 Zn2 Pb2 Cl12]'
_cell_volume [463.5226]
_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  0.3333  0.6667  0.2500  1.0
  Zn  Zn1  2  0.3333  0.6667  0.7500  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  12  0.0049  0.3675  0.6375  1.0
]