data_[Sc16Tl4Pb4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.3731]
_cell_length_b [15.0378]
_cell_length_c [6.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4TlPbC]
_chemical_formula_sum '[Sc16 Tl4 Pb4 C4]'
_cell_volume [610.4971]
_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  8  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  4  0.0000  0.0939  0.7500  1.0
  Sc  Sc2  4  0.0000  0.4040  0.7500  1.0
  Tl  Tl3  4  0.0000  0.1084  0.2500  1.0
  Pb  Pb4  4  0.0000  0.3940  0.2500  1.0
  C  C5  4  0.0000  0.2493  0.7500  1.0
]