data_[Ca16Cd4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2153]
_cell_length_b [5.4789]
_cell_length_c [7.2409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8Cd2Pd]
_chemical_formula_sum '[Ca16 Cd4 Pd2]'
_cell_volume [725.5028]
_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  0.0240  0.0000  0.7896  1.0
  Ca  Ca1  4  0.0926  0.5000  0.4243  1.0
  Ca  Ca2  4  0.1518  0.5000  0.9588  1.0
  Ca  Ca3  4  0.2073  0.0000  0.2980  1.0
  Cd  Cd4  4  0.1829  0.0000  0.7186  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]