data_[Zn12Ag6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4329]
_cell_length_b [4.1161]
_cell_length_c [9.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn6Ag3Pd]
_chemical_formula_sum '[Zn12 Ag6 Pd2]'
_cell_volume [313.3197]
_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  0.0463  0.2500  0.9011  1.0
  Zn  Zn1  2  0.1344  0.7500  0.6830  1.0
  Zn  Zn2  2  0.1468  0.2500  0.1986  1.0
  Zn  Zn3  2  0.2283  0.2500  0.4949  1.0
  Zn  Zn4  2  0.3473  0.7500  0.2971  1.0
  Zn  Zn5  2  0.4463  0.2500  0.1062  1.0
  Ag  Ag6  2  0.2517  0.7500  0.9957  1.0
  Ag  Ag7  2  0.3469  0.2500  0.7942  1.0
  Ag  Ag8  2  0.4431  0.7500  0.5933  1.0
  Pd  Pd9  2  0.0571  0.7500  0.3843  1.0
]