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 [Cm]
_cell_length_a [9.5688]
_cell_length_b [4.0589]
_cell_length_c [5.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfTiPd]
_chemical_formula_sum '[Hf4 Ti4 Pd4]'
_cell_volume [214.8167]
_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  2  0.0898  0.0000  0.8719  1
  Hf  Hf1  2  0.4423  0.0000  0.0935  1
  Ti  Ti2  2  0.1424  0.0000  0.4063  1
  Ti  Ti3  2  0.2787  0.5000  0.2330  1
  Pd  Pd4  2  0.2690  0.5000  0.7272  1
  Pd  Pd5  2  0.4414  0.0000  0.5697  1
]