data_[Sc16Ga4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6539]
_cell_length_b [4.5796]
_cell_length_c [7.4922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ga2Pb]
_chemical_formula_sum '[Sc16 Ga4 Pb2]'
_cell_volume [491.4032]
_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  4  0.0496  0.0000  0.7284  1.0
  Sc  Sc1  4  0.1008  0.5000  0.4618  1.0
  Sc  Sc2  4  0.1629  0.0000  0.2334  1.0
  Sc  Sc3  4  0.1825  0.5000  0.9394  1.0
  Ga  Ga4  4  0.2141  0.0000  0.6558  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]