data_Y2HfZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   146.32
_cell_angle_beta   132.72
_cell_angle_gamma   59.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfZn
_chemical_formula_sum   'Y2 Hf1 Zn1'
_cell_volume   99.0
_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  0.0  0.51  0.1  1.0
  Y  Y2  1  0.81  0.0  0.33  1.0
  Hf  Hf0  1  0.0  0.0  0.44  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Y2HfZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.02
_cell_length_c   6.26
_cell_angle_alpha   113.64
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfZn
_chemical_formula_sum   'Y2 Hf1 Zn1'
_cell_volume   99.0
_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  0.0  0.33  0.52  1.0
  Y  Y1  1  0.49  0.59  0.59  1.0
  Hf  Hf2  1  0.0  0.44  0.44  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

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