data_Hf2SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   131.89
_cell_angle_beta   130.57
_cell_angle_gamma   71.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnPd
_chemical_formula_sum   'Hf2 Sn1 Pd1'
_cell_volume   79.17
_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  0.19  0.14  1.0
  Hf  Hf1  1  0.13  0.0  0.1  1.0
  Sn  Sn3  1  0.0  0.0  0.25  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Hf2SnPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.37
_cell_length_c   5.23
_cell_angle_alpha   114.71
_cell_angle_beta   114.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnPd
_chemical_formula_sum   'Hf2 Sn1 Pd1'
_cell_volume   79.17
_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  0.03  0.9  0.03  1.0
  Hf  Hf1  1  0.86  0.04  0.04  1.0
  Sn  Sn2  1  0.75  0.75  0.75  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Hf Hf Sn Pd
Hf Hf Sn Pd 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 