data_[Mn4Pb8]
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 [C2/m]
_cell_length_a [10.4703]
_cell_length_b [4.2226]
_cell_length_c [7.9842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnPb2]
_chemical_formula_sum '[Mn4 Pb8]'
_cell_volume [300.5161]
_cell_formula_units_Z [4]
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  0.1345  0.0000  0.6628  1
  Pb  Pb1  4  0.0869  0.5000  0.3674  1
  Pb  Pb2  4  0.1753  0.0000  0.0768  1
]