data_[Sc16Os4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4499]
_cell_length_b [12.6653]
_cell_length_c [5.7803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4OsPb]
_chemical_formula_sum '[Sc16 Os4 Pb4]'
_cell_volume [571.5421]
_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
[
  Sc  Sc0  8  0.1102  0.1663  0.0617  1
  Sc  Sc1  8  0.2259  0.4284  0.3509  1
  Os  Os2  4  0.0000  0.0005  0.2500  1
  Pb  Pb3  4  0.0000  0.3697  0.7500  1
]