data_[Na6Mn3Pb3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [R3]
_cell_length_a [7.9247]
_cell_length_b [7.9247]
_cell_length_c [21.2992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2MnPbI6]
_chemical_formula_sum '[Na6 Mn3 Pb3 I18]'
_cell_volume [1158.4159]
_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
[
  Na  Na0  3  0.0000  0.0000  0.4813  1
  Na  Na1  3  0.0000  0.0000  0.9879  1
  Mn  Mn2  3  0.0000  0.0000  0.6759  1
  Pb  Pb3  3  0.0000  0.0000  0.1788  1
  I  I4  9  0.0127  0.3709  0.4151  1
  I  I5  9  0.0440  0.6774  0.2568  1
]