data_[Mg24Sc3Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.3980]
_cell_length_b [8.3980]
_cell_length_c [20.3014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg8ScPb6]
_chemical_formula_sum '[Mg24 Sc3 Pb18]'
_cell_volume [1239.9589]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  18  0.0004  0.6627  0.1159  1
  Mg  Mg1  6  0.0000  0.0000  0.3323  1
  Sc  Sc2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  18  0.0005  0.6688  0.9334  1
]