data_[Sc8Cu8Sn4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.8752]
_cell_length_b [4.4385]
_cell_length_c [10.8785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sc2Cu2SnPb]
_chemical_formula_sum '[Sc8 Cu8 Sn4 Pb4]'
_cell_volume [495.0783]
_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  1  0.0011  0.5000  0.2503  1
  Sc  Sc1  1  0.1262  0.0000  0.6224  1
  Sc  Sc2  1  0.2501  0.5000  0.0025  1
  Sc  Sc3  1  0.3739  0.0000  0.3738  1
  Sc  Sc4  1  0.5014  0.5000  0.7501  1
  Sc  Sc5  1  0.6235  0.0000  0.1249  1
  Sc  Sc6  1  0.7473  0.5000  0.4974  1
  Sc  Sc7  1  0.8765  0.0000  0.8788  1
  Cu  Cu8  1  0.0005  0.5000  0.0051  1
  Cu  Cu9  1  0.1290  0.0000  0.3744  1
  Cu  Cu10  1  0.2505  0.5000  0.7457  1
  Cu  Cu11  1  0.3745  0.0000  0.1290  1
  Cu  Cu12  1  0.4952  0.5000  0.4953  1
  Cu  Cu13  1  0.6297  0.0000  0.8798  1
  Cu  Cu14  1  0.7454  0.5000  0.2452  1
  Cu  Cu15  1  0.8750  0.0000  0.6251  1
  Sn  Sn16  1  0.1252  0.0000  0.1257  1
  Sn  Sn17  1  0.2502  0.5000  0.4991  1
  Sn  Sn18  1  0.4991  0.5000  0.2494  1
  Sn  Sn19  1  0.7506  0.5000  0.0007  1
  Pb  Pb20  1  0.0005  0.5000  0.7510  1
  Pb  Pb21  1  0.3752  0.0000  0.8756  1
  Pb  Pb22  1  0.6245  0.0000  0.6252  1
  Pb  Pb23  1  0.8750  0.0000  0.3738  1
]