data_[Zr2Ag6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [8.8627]
_cell_length_b [4.1228]
_cell_length_c [9.1666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr(AgPd2)3]
_chemical_formula_sum '[Zr2 Ag6 Pd12]'
_cell_volume [334.5543]
_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
[
  Zr  Zr0  2  0.0664  0.2500  0.3725  1
  Ag  Ag1  2  0.2508  0.2500  0.9996  1
  Ag  Ag2  2  0.3454  0.7500  0.8006  1
  Ag  Ag3  2  0.4478  0.2500  0.6000  1
  Pd  Pd4  2  0.0490  0.7500  0.9023  1
  Pd  Pd5  2  0.1379  0.2500  0.6903  1
  Pd  Pd6  2  0.1556  0.7500  0.2003  1
  Pd  Pd7  2  0.2386  0.7500  0.5004  1
  Pd  Pd8  2  0.3542  0.2500  0.2993  1
  Pd  Pd9  2  0.4508  0.7500  0.1000  1
]