data_[Ca4P2Pd12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6781]
_cell_length_b [9.0005]
_cell_length_c [8.2960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2PPd6Pb]
_chemical_formula_sum '[Ca4 P2 Pd12 Pb2]'
_cell_volume [423.9710]
_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  0.2404  0.2583  1.0
  P  P1  2  0.0000  0.0000  0.7889  1.0
  Pd  Pd2  4  0.0000  0.2445  0.8899  1.0
  Pd  Pd3  4  0.2444  0.5000  0.9906  1.0
  Pd  Pd4  4  0.2496  0.0000  0.5735  1.0
  Pb  Pb5  2  0.0000  0.5000  0.7002  1.0
]