data_[Mn21Pb3O36]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6922]
_cell_length_b [10.6922]
_cell_length_c [6.5403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn7PbO12]
_chemical_formula_sum '[Mn21 Pb3 O36]'
_cell_volume [647.5295]
_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
[
  Mn  Mn0  9  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  9  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  3  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
  O  O4  18  0.0123  0.1597  0.6711  1.0
  O  O5  18  0.0489  0.2756  0.0833  1.0
]