data_HfV2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   143.14
_cell_angle_beta   133.14
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Pd
_chemical_formula_sum   'Hf1 V2 Pd1'
_cell_volume   64.43
_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  0.56  1.0
  V  V2  1  0.0  0.11  0.3  1.0
  V  V3  1  0.68  0.0  0.26  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_HfV2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.21
_cell_length_c   5.3
_cell_angle_alpha   113.43
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Pd
_chemical_formula_sum   'Hf1 V2 Pd1'
_cell_volume   64.43
_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  0.44  0.44  0.44  1.0
  V  V1  1  0.41  0.74  0.41  1.0
  V  V2  1  0.7  0.81  0.81  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Hf V V Pd