data_[Mn6Pb10I32]
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 [Cm]
_cell_length_a [15.8164]
_cell_length_b [8.8355]
_cell_length_c [14.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn3Pb5I16]
_chemical_formula_sum '[Mn6 Pb10 I32]'
_cell_volume [2052.9269]
_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  4  0.0851  0.2526  0.7152  1
  Mn  Mn1  2  0.1697  0.0000  0.2212  1
  Pb  Pb2  4  0.4156  0.2503  0.2163  1
  Pb  Pb3  2  0.1615  0.5000  0.9723  1
  Pb  Pb4  2  0.3286  0.0000  0.4808  1
  Pb  Pb5  2  0.3328  0.5000  0.7159  1
  I  I6  4  0.0895  0.2322  0.1049  1
  I  I7  4  0.2324  0.2451  0.8348  1
  I  I8  4  0.2434  0.2368  0.3378  1
  I  I9  4  0.4346  0.2558  0.5968  1
  I  I10  2  0.0080  0.5000  0.8228  1
  I  I11  2  0.0136  0.0000  0.8229  1
  I  I12  2  0.0197  0.0000  0.3353  1
  I  I13  2  0.1540  0.5000  0.6029  1
  I  I14  2  0.1568  0.0000  0.6074  1
  I  I15  2  0.3128  0.0000  0.0975  1
  I  I16  2  0.3458  0.5000  0.0712  1
  I  I17  2  0.4952  0.0000  0.3538  1
]