data_[Ta16Cr8Pb12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  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 [9.8403]
_cell_length_b [5.6550]
_cell_length_c [14.2256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Cr2(PbC)3]
_chemical_formula_sum '[Ta16 Cr8 Pb12 C12]'
_cell_volume [769.3278]
_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
[
  Ta  Ta0  8  0.1097  0.0904  0.5772  1
  Ta  Ta1  8  0.2272  0.0802  0.9226  1
  Cr  Cr2  8  0.0535  0.4227  0.4316  1
  Pb  Pb3  8  0.1634  0.4209  0.7504  1
  Pb  Pb4  4  0.0000  0.0869  0.2500  1
  C  C5  8  0.0823  0.2533  0.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]