data_HfAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.77
_cell_angle_alpha   101.3
_cell_angle_beta   101.3
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2Pd
_chemical_formula_sum   'Hf1 Ag2 Pd1'
_cell_volume   71.42
_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  Hf2  1  0.5  0.0  0.33  1.0
  Ag  Ag0  1  0.8  0.0  0.52  1.0
  Ag  Ag1  1  0.2  0.0  0.15  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_HfAg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.77
_cell_length_c   5.22
_cell_angle_alpha   101.3
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2Pd
_chemical_formula_sum   'Hf1 Ag2 Pd1'
_cell_volume   71.42
_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  0.33  0.5  1.0
  Ag  Ag1  1  0.0  0.15  0.2  1.0
  Ag  Ag2  1  0.0  0.52  0.8  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Hf Ag Ag Pd
Hf Ag Ag Pd 0 2 o o o 0 1 o o o 2 3 o o o 