data_[Hf4Ti4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8418]
_cell_length_b [3.2315]
_cell_length_c [6.4370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTiPd]
_chemical_formula_sum '[Hf4 Ti4 Pd4]'
_cell_volume [215.5619]
_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  0.1575  0.0000  0.3255  1.0
  Ti  Ti1  4  0.1645  0.0000  0.8356  1.0
  Pd  Pd2  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
]