data_[Tb6Sc2Pb4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [Immm]
_cell_length_a [4.5991]
_cell_length_b [4.8315]
_cell_length_c [16.1453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3ScPb2C]
_chemical_formula_sum '[Tb6 Sc2 Pb4 C2]'
_cell_volume [358.7617]
_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
[
  Tb  Tb0  4  0.0000  0.0000  0.1568  1.0
  Tb  Tb1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  4  0.0000  0.0000  0.3590  1.0
  C  C4  2  0.0000  0.0000  0.0000  1.0
]