data_[Sc10Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8874]
_cell_length_b [3.3468]
_cell_length_c [7.6824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc5Pb]
_chemical_formula_sum '[Sc10 Pb2]'
_cell_volume [295.6085]
_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  0.0636  0.0000  0.6063  1.0
  Sc  Sc1  2  0.1723  0.5000  0.3374  1.0
  Sc  Sc2  2  0.2120  0.5000  0.9433  1.0
  Sc  Sc3  2  0.3356  0.0000  0.6711  1.0
  Sc  Sc4  2  0.3875  0.0000  0.2771  1.0
  Pb  Pb5  2  0.4955  0.5000  0.9980  1.0
]