data_[Ca6Pd14Pb4]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7771]
_cell_length_b [21.4919]
_cell_length_c [4.9273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca3Pd7Pb2]
_chemical_formula_sum '[Ca6 Pd14 Pb4]'
_cell_volume [505.8879]
_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  0.0000  0.3350  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  4  0.0000  0.0765  0.5000  1.0
  Pd  Pd3  4  0.0000  0.2797  0.0000  1.0
  Pd  Pd4  4  0.0000  0.4254  0.0000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb6  4  0.0000  0.1442  0.0000  1.0
]