data_YHfZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.73
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfZn2
_chemical_formula_sum   'Y1 Hf1 Zn2'
_cell_volume   80.1
_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
  Y  Y1  1  0.74  0.0  0.43  1.0
  Hf  Hf0  1  0.74  0.37  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.37  0.43  1.0

data_YHfZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.73
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfZn2
_chemical_formula_sum   'Y1 Hf1 Zn2'
_cell_volume   80.1
_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
  Y  Y0  1  0.74  0.0  0.43  1.0
  Hf  Hf1  1  0.74  0.37  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.37  0.43  1.0

Y Hf Zn Zn
Y Hf Zn Zn 0 2 + o o 0 3 + o o 1 2 + o o 1 3 + o o 