data_[Zr12Ni2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7203]
_cell_length_b [7.3123]
_cell_length_c [10.3213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6NiPd2]
_chemical_formula_sum '[Zr12 Ni2 Pd4]'
_cell_volume [369.8860]
_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  4  0.0812  0.0531  0.2478  1
  Zr  Zr1  4  0.2007  0.7307  0.0614  1
  Zr  Zr2  4  0.3876  0.1544  0.0400  1
  Ni  Ni3  2  0.5000  0.0000  0.5000  1
  Pd  Pd4  4  0.3303  0.0944  0.7127  1
]