data_[Sc14Pb6C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5734]
_cell_length_b [23.4776]
_cell_length_c [4.5072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc7Pb3C2]
_chemical_formula_sum '[Sc14 Pb6 C4]'
_cell_volume [483.9561]
_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  0.0000  0.0963  0.5000  1.0
  Sc  Sc1  4  0.0000  0.1955  0.0000  1.0
  Sc  Sc2  4  0.0000  0.4019  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  4  0.0000  0.3094  0.5000  1.0
  Pb  Pb5  2  0.0000  0.5000  0.5000  1.0
  C  C6  4  0.0000  0.0979  0.0000  1.0
]