data_[Os8Pb4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.2290]
_cell_length_b [6.2290]
_cell_length_c [10.3744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Os2PbW]
_chemical_formula_sum '[Os8 Pb4 W4]'
_cell_volume [402.5290]
_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
[
  Os  Os0  8  0.2156  0.2500  0.6250  1
  Pb  Pb1  4  0.0000  0.0000  0.0000  1
  W  W2  4  0.0000  0.0000  0.5000  1
]