data_[Ca12Pd6Pb3Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2106]
_cell_length_b [5.2106]
_cell_length_c [25.0724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca4Pd2PbAu]
_chemical_formula_sum '[Ca12 Pd6 Pb3 Au3]'
_cell_volume [589.5216]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  6  0.0000  0.0000  0.1294  1.0
  Ca  Ca1  6  0.0000  0.0000  0.3795  1.0
  Pd  Pd2  6  0.0000  0.0000  0.2533  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
  Au  Au4  3  -0.0000  -0.0000  0.5000  1.0
]