data_[Y6Cu6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6026]
_cell_length_b [4.6026]
_cell_length_c [23.3048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YCuPb]
_chemical_formula_sum '[Y6 Cu6 Pb6]'
_cell_volume [427.5515]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.1291  1
  Y  Y1  3  0.0000  0.0000  0.2950  1
  Cu  Cu2  3  0.0000  0.0000  0.4187  1
  Cu  Cu3  3  0.0000  0.0000  0.8896  1
  Pb  Pb4  3  0.0000  0.0000  0.5418  1
  Pb  Pb5  3  0.0000  0.0000  0.7109  1
]