data_[Zr9Sn6Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3428]
_cell_length_b [5.3428]
_cell_length_c [29.8179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr3(SnPd4)2]
_chemical_formula_sum '[Zr9 Sn6 Pd24]'
_cell_volume [737.1407]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1903  1
  Zr  Zr1  3  0.0000  0.0000  0.0000  1
  Sn  Sn2  6  0.0000  0.0000  0.3684  1
  Pd  Pd3  18  0.0035  0.5017  0.7760  1
  Pd  Pd4  6  0.0000  0.0000  0.2805  1
]