data_YHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   160.85
_cell_angle_beta   149.64
_cell_angle_gamma   36.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2
_chemical_formula_sum   'Y2 Hf4'
_cell_volume   161.5
_cell_formula_units_Z   2
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  Y4  1  0.0  0.3  0.7  1.0
  Y  Y5  1  0.65  0.3  0.72  1.0
  Hf  Hf0  1  0.0  0.3  0.69  1.0
  Hf  Hf1  1  0.0  0.3  0.54  1.0
  Hf  Hf2  1  0.65  0.3  0.89  1.0
  Hf  Hf3  1  0.65  0.3  0.73  1.0

data_YHf2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.3
_cell_length_b   5.19
_cell_length_c   9.92
_cell_angle_alpha   105.18
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YHf2
_chemical_formula_sum   'Y2 Hf4'
_cell_volume   161.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.51  0.19  1.0
  Hf  Hf1  2  0.19  0.52  0.19  1.0
  Hf  Hf2  2  0.35  0.67  0.35  1.0

Y Y Hf Hf Hf Hf
Y Y Hf Hf Hf Hf 0 2 o o o 0 3 o o o 1 5 o o o 1 4 o o o 2 3 o o o 4 5 o o o 