data_[Hf2Ti2Pd2]
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 [P1]
_cell_length_a [4.9470]
_cell_length_b [5.1995]
_cell_length_c [5.5018]
_cell_angle_alpha [106.5492]
_cell_angle_beta [102.3755]
_cell_angle_gamma [117.0148]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HfTiPd]
_chemical_formula_sum '[Hf2 Ti2 Pd2]'
_cell_volume [110.6338]
_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
[
  Hf  Hf0  1  0.5414  0.7119  0.2105  1
  Hf  Hf1  1  0.7424  0.2240  0.9153  1
  Ti  Ti2  1  0.0379  0.5132  0.5005  1
  Ti  Ti3  1  0.2289  0.0583  0.2076  1
  Pd  Pd4  1  0.1395  0.1159  0.6936  1
  Pd  Pd5  1  0.6467  0.6236  0.7108  1
]