data_Hf2VPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   144.94
_cell_angle_beta   132.77
_cell_angle_gamma   60.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VPd
_chemical_formula_sum   'Hf2 V1 Pd1'
_cell_volume   72.21
_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  0.68  0.0  0.74  1.0
  Hf  Hf1  1  0.0  0.0  0.29  1.0
  V  V3  1  0.0  0.0  0.35  1.0
  Pd  Pd2  1  0.68  0.0  0.08  1.0

data_Hf2VPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.46
_cell_length_c   5.57
_cell_angle_alpha   113.62
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VPd
_chemical_formula_sum   'Hf2 V1 Pd1'
_cell_volume   72.21
_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  0.29  0.29  1.0
  Hf  Hf1  1  0.0  0.74  0.06  1.0
  V  V2  1  0.0  0.35  0.35  1.0
  Pd  Pd3  1  0.0  0.08  0.4  1.0

Hf Hf V Pd