data_HfZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.06
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Pd
_chemical_formula_sum   'Hf1 Zn2 Pd1'
_cell_volume   66.08
_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  0.05  0.03  0.77  1.0
  Zn  Zn2  1  0.05  0.03  0.58  1.0
  Zn  Zn3  1  0.64  0.0  0.36  1.0
  Pd  Pd1  1  0.55  0.0  0.32  1.0

data_HfZn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.06
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Pd
_chemical_formula_sum   'Hf1 Zn2 Pd1'
_cell_volume   66.08
_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  0.05  0.03  0.77  1.0
  Zn  Zn1  1  0.05  0.03  0.58  1.0
  Zn  Zn2  1  0.64  0.0  0.36  1.0
  Pd  Pd3  1  0.55  0.0  0.32  1.0

Hf Zn Zn Pd
Hf Zn Zn Pd 0 1 o o o 2 3 o o o 