data_[Y8Lu16Pb12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Lu  1.2700  1.7500  1.0010
  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 [10.7645]
_cell_length_b [6.2163]
_cell_length_c [16.2027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Lu4(PbC)3]
_chemical_formula_sum '[Y8 Lu16 Pb12 C12]'
_cell_volume [1057.3632]
_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  0.0546  0.4171  0.9145  1
  Lu  Lu1  8  0.1101  0.0839  0.0803  1
  Lu  Lu2  8  0.2236  0.0830  0.4197  1
  Pb  Pb3  8  0.1715  0.4114  0.2499  1
  Pb  Pb4  4  0.0000  0.0737  0.7500  1
  C  C5  8  0.0849  0.2454  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]