data_[Ca4Si4Pd10Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.3908]
_cell_length_b [10.3908]
_cell_length_c [3.5219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Si2Pd5Pb]
_chemical_formula_sum '[Ca4 Si4 Pd10 Pb2]'
_cell_volume [380.2492]
_cell_formula_units_Z [2]
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  4  0.1765  0.6765  0.0000  1.0
  Si  Si1  4  0.1205  0.3795  0.0000  1.0
  Pd  Pd2  8  0.0678  0.2237  0.5000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  2  0.0000  0.0000  0.0000  1.0
]