data_[Y16Ta8Pb12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4877]
_cell_length_b [6.1040]
_cell_length_c [15.6100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Ta2(PbC)3]
_chemical_formula_sum '[Y16 Ta8 Pb12 C12]'
_cell_volume [971.3775]
_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
[
  Y  Y0  8  0.1148  0.0716  0.5893  1
  Y  Y1  8  0.2131  0.0896  0.9106  1
  Ta  Ta2  8  0.0645  0.4115  0.4302  1
  Pb  Pb3  8  0.1508  0.4303  0.7462  1
  Pb  Pb4  4  0.0000  0.1200  0.2500  1
  C  C5  8  0.0734  0.2792  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]