data_Hf2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaPd
_chemical_formula_sum   'Hf2 Ta1 Pd1'
_cell_volume   77.33
_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  0.0  0.0  0.07  1.0
  Hf  Hf1  1  0.18  0.0  0.87  1.0
  Ta  Ta3  1  0.18  0.0  0.15  1.0
  Pd  Pd2  1  0.0  0.0  0.91  1.0

data_Hf2TaPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2TaPd
_chemical_formula_sum   'Hf2 Ta1 Pd1'
_cell_volume   77.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.07  1.0
  Hf  Hf1  1  0.18  0.0  0.87  1.0
  Ta  Ta2  1  0.18  0.0  0.15  1.0
  Pd  Pd3  1  0.0  0.0  0.91  1.0

Hf Hf Ta Pd