data_Hf3Zn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zn5
_chemical_formula_sum   'Hf3 Zn5'
_cell_volume   138.77
_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  0.68  0.0  0.0  1.0
  Hf  Hf1  1  0.68  0.7  0.15  1.0
  Hf  Hf2  1  0.68  0.3  0.15  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Zn  Zn4  1  0.84  0.81  0.0  1.0
  Zn  Zn5  1  0.84  0.19  0.0  1.0
  Zn  Zn6  1  0.49  0.0  0.15  1.0
  Zn  Zn7  1  0.88  0.0  0.15  1.0

data_Hf3Zn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   99.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zn5
_chemical_formula_sum   'Hf3 Zn5'
_cell_volume   138.77
_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  0.0  0.68  0.0  1.0
  Hf  Hf1  1  0.15  0.68  0.3  1.0
  Hf  Hf2  1  0.15  0.68  0.7  1.0
  Zn  Zn3  1  -0.0  0.84  0.81  1.0
  Zn  Zn4  1  -0.0  0.84  0.19  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Zn  Zn6  1  0.15  0.49  0.0  1.0
  Zn  Zn7  1  0.15  0.88  0.0  1.0

Hf Hf Hf Zn Zn Zn Zn Zn
Hf Hf Hf Zn Zn Zn Zn Zn 0 6 o o o 0 7 o o o 0 5 o o o 1 4 o o o 2 5 o o o 3 7 - o o 3 4 - - o 3 5 - o o 4 7 o + o 5 7 o o o 