data_[Na1Mn2Pb1I8]
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 [P-3]
_cell_length_a [7.5949]
_cell_length_b [7.5949]
_cell_length_c [10.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [NaMn2PbI8]
_chemical_formula_sum '[Na1 Mn2 Pb1 I8]'
_cell_volume [528.1814]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.3333  0.6667  0.2428  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  I  I3  6  0.0051  0.3310  0.6948  1.0
  I  I4  2  0.3333  0.6667  0.9974  1.0
]