data_[Hf4Zr8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0080]
_cell_length_b [4.7464]
_cell_length_c [13.6854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Hf(ZrPd)2]
_chemical_formula_sum '[Hf4 Zr8 Pd8]'
_cell_volume [390.2589]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  4  0.1673  0.2500  0.4574  1
  Zr  Zr1  4  0.0403  0.7500  0.1526  1
  Zr  Zr2  4  0.1501  0.7500  0.7301  1
  Pd  Pd3  4  0.0801  0.7500  0.3615  1
  Pd  Pd4  4  0.1299  0.2500  0.0417  1
]