data_Hf5Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   8.06
_cell_length_c   8.06
_cell_angle_alpha   22.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Cu
_chemical_formula_sum   'Hf5 Cu1'
_cell_volume   124.88
_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  Hf1  1  0.51  0.0  0.35  1.0
  Hf  Hf2  1  0.0  0.0  0.37  1.0
  Hf  Hf3  1  0.51  0.0  0.13  1.0
  Hf  Hf4  1  0.0  0.0  0.27  1.0
  Hf  Hf5  1  0.51  0.0  0.78  1.0
  Cu  Cu0  1  0.0  0.0  0.81  1.0

data_Hf5Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.03
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   101.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Cu
_chemical_formula_sum   'Hf5 Cu1'
_cell_volume   124.88
_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  0.22  0.51  0.22  1.0
  Hf  Hf1  1  0.63  0.0  0.63  1.0
  Hf  Hf2  1  0.65  0.51  0.65  1.0
  Hf  Hf3  1  0.73  0.0  0.73  1.0
  Hf  Hf4  1  0.87  0.51  0.87  1.0
  Cu  Cu5  1  0.19  0.0  0.19  1.0

Hf Hf Hf Hf Hf Cu