data_[Hf1Ta1Ti1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2494]
_cell_length_b [3.2494]
_cell_length_c [6.7852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [HfTaTiPd]
_chemical_formula_sum '[Hf1 Ta1 Ti1 Pd1]'
_cell_volume [71.6429]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.6110  1.0
  Ta  Ta1  1  0.0000  0.0000  0.3439  1.0
  Ti  Ti2  1  0.5000  0.5000  0.1058  1.0
  Pd  Pd3  1  0.0000  0.0000  0.8672  1.0
]