data_[Ca8Zn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9937]
_cell_length_b [5.6211]
_cell_length_c [8.0033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2ZnPd2]
_chemical_formula_sum '[Ca8 Zn4 Pd8]'
_cell_volume [436.0561]
_cell_formula_units_Z [4]
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  8  0.1496  0.3610  0.6498  1
  Zn  Zn1  4  0.0000  0.1325  0.2500  1
  Pd  Pd2  8  0.1299  0.1346  0.0053  1
]