data_[Sc2Si2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7872]
_cell_length_b [4.0148]
_cell_length_c [5.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScSiPb2]
_chemical_formula_sum '[Sc2 Si2 Pb4]'
_cell_volume [206.9943]
_cell_formula_units_Z [2]
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  2  0.0485  0.5000  0.6272  1
  Si  Si1  2  0.2454  0.0000  0.6265  1
  Pb  Pb2  2  0.2561  0.5000  0.2848  1
  Pb  Pb3  2  0.4500  0.5000  0.9615  1
]