data_[Mo8Pb8]
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
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [10.7812]
_cell_length_b [10.7812]
_cell_length_c [3.1816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [MoPb]
_chemical_formula_sum '[Mo8 Pb8]'
_cell_volume [369.8110]
_cell_formula_units_Z [8]
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  0.0192  0.6359  0.5000  1
  Mo  Mo1  4  0.1363  0.4494  0.0000  1
  Pb  Pb2  4  0.1434  0.1621  0.0000  1
  Pb  Pb3  4  0.3213  0.6340  0.5000  1
]