data_[Mo4Pb8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3931]
_cell_length_b [5.9382]
_cell_length_c [7.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoPb2O5]
_chemical_formula_sum '[Mo4 Pb8 O20]'
_cell_volume [596.0011]
_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
[
  Mo  Mo0  4  0.1723  0.0000  0.6556  1.0
  Pb  Pb1  4  0.0097  0.5000  0.2491  1.0
  Pb  Pb2  4  0.1347  0.0000  0.1056  1.0
  O  O3  8  0.1458  0.2413  0.7724  1.0
  O  O4  4  0.0000  0.2528  0.0000  1.0
  O  O5  4  0.0972  0.0000  0.4001  1.0
  O  O6  4  0.1964  0.5000  0.3041  1.0
]