data_[Mn6Pb6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3889]
_cell_length_b [3.1823]
_cell_length_c [7.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnPb]
_chemical_formula_sum '[Mn6 Pb6]'
_cell_volume [264.3558]
_cell_formula_units_Z [6]
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  0.0679  0.5000  0.8262  1
  Mn  Mn1  2  0.1502  0.5000  0.2461  1
  Mn  Mn2  2  0.4626  0.5000  0.9959  1
  Pb  Pb3  2  0.0449  0.0000  0.4639  1
  Pb  Pb4  2  0.2793  0.0000  0.0452  1
  Pb  Pb5  2  0.3285  0.0000  0.5893  1
]