data_[Zr6Zn48Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.8058]
_cell_length_b [8.8058]
_cell_length_c [12.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zr2Zn16Pd]
_chemical_formula_sum '[Zr6 Zn48 Pd3]'
_cell_volume [871.0713]
_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  3  0.0000  0.0000  0.3363  1
  Zr  Zr1  3  0.0000  0.0000  0.6656  1
  Zn  Zn2  18  0.0354  0.3684  0.6657  1
  Zn  Zn3  9  0.0012  0.5006  0.4998  1
  Zn  Zn4  9  0.0062  0.5031  0.1488  1
  Zn  Zn5  9  0.1751  0.3502  0.1835  1
  Zn  Zn6  3  0.0000  0.0000  0.1063  1
  Pd  Pd7  3  0.0000  0.0000  0.9014  1
]