data_[Ca4Pd6Pb4]
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 [C2/m]
_cell_length_a [12.4535]
_cell_length_b [3.8869]
_cell_length_c [7.4563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Pd3Pb2]
_chemical_formula_sum '[Ca4 Pd6 Pb4]'
_cell_volume [329.3780]
_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  0.1021  0.0000  0.7637  1.0
  Pd  Pd1  4  0.0975  0.5000  0.4383  1.0
  Pd  Pd2  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.1738  0.0000  0.2450  1.0
]