data_Hf2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   6.95
_cell_angle_alpha   104.67
_cell_angle_beta   104.67
_cell_angle_gamma   58.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsPd
_chemical_formula_sum   'Hf2 As1 Pd1'
_cell_volume   79.8
_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  Hf1  1  0.14  0.0  1.0  1.0
  Hf  Hf2  1  0.38  0.0  0.65  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.26  0.0  0.32  1.0

data_Hf2AsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.75
_cell_length_c   6.95
_cell_angle_alpha   104.67
_cell_angle_beta   90.0
_cell_angle_gamma   119.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsPd
_chemical_formula_sum   'Hf2 As1 Pd1'
_cell_volume   79.8
_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  0.62  0.35  1.0
  Hf  Hf1  1  0.0  0.86  0.0  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.74  0.68  1.0

Hf Hf As Pd