data_[Zn2Cd6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7502]
_cell_length_b [4.6019]
_cell_length_c [9.7300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn(CdPd2)3]
_chemical_formula_sum '[Zn2 Cd6 Pd12]'
_cell_volume [329.7314]
_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
[
  Zn  Zn0  2  0.0466  0.2500  0.4068  1
  Cd  Cd1  2  0.2285  0.2500  0.0063  1
  Cd  Cd2  2  0.3608  0.7500  0.7866  1
  Cd  Cd3  2  0.4601  0.2500  0.6099  1
  Pd  Pd4  2  0.0566  0.7500  0.8732  1
  Pd  Pd5  2  0.1383  0.2500  0.6923  1
  Pd  Pd6  2  0.1502  0.7500  0.1851  1
  Pd  Pd7  2  0.2324  0.7500  0.4878  1
  Pd  Pd8  2  0.3278  0.2500  0.3114  1
  Pd  Pd9  2  0.4542  0.7500  0.0857  1
]