data_YHf8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   95.39
_cell_angle_beta   95.39
_cell_angle_gamma   144.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf8
_chemical_formula_sum   'Y1 Hf8'
_cell_volume   209.59
_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  Y8  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.28  0.0  0.0  1.0
  Hf  Hf1  1  0.45  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.28  0.0  1.0
  Hf  Hf3  1  0.17  0.17  0.0  1.0
  Hf  Hf4  1  0.7  0.3  0.22  1.0
  Hf  Hf5  1  0.0  0.45  0.0  1.0
  Hf  Hf6  1  0.3  0.7  0.22  1.0
  Hf  Hf7  1  0.7  0.7  0.22  1.0

data_YHf8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   13.76
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHf8
_chemical_formula_sum   'Y2 Hf16'
_cell_volume   419.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Hf  Hf1  4  0.22  0.3  0.22  1.0
  Hf  Hf2  4  0.28  0.28  0.0  1.0
  Hf  Hf3  4  0.36  0.36  0.0  1.0
  Hf  Hf4  2  0.02  0.5  0.22  1.0
  Hf  Hf5  2  0.33  0.5  0.0  1.0

Y Hf Hf Hf Hf Hf Hf Hf Hf
Y Hf Hf Hf Hf Hf Hf Hf Hf 0 4 o o o 0 8 - - o 1 2 o o o 1 5 o o o 2 5 o o o 3 6 o o o 3 7 o o o 4 8 o o o 4 8 - - o 5 8 o o o 6 7 o o o 7 8 o o o 