data_[Mn2Pb6I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.2882]
_cell_length_b [9.2882]
_cell_length_c [14.0292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [MnPb3I8]
_chemical_formula_sum '[Mn2 Pb6 I16]'
_cell_volume [1048.1511]
_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  0.4728  1
  Pb  Pb1  6  0.1691  0.3382  0.2104  1
  I  I2  6  0.0347  0.5173  0.3557  1
  I  I3  6  0.1814  0.8186  0.5902  1
  I  I4  2  0.0000  0.0000  0.3395  1
  I  I5  2  0.3333  0.6667  0.0758  1
]