data_HfCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu
_chemical_formula_sum   'Hf2 Cu2'
_cell_volume   96.57
_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
  Hf  Hf2  1  0.04  0.18  0.85  1.0
  Hf  Hf3  1  0.0  0.35  0.5  1.0
  Cu  Cu0  1  0.04  0.18  0.34  1.0
  Cu  Cu1  1  0.0  0.35  0.69  1.0

data_HfCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu
_chemical_formula_sum   'Hf2 Cu2'
_cell_volume   96.57
_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
  Hf  Hf0  1  0.0  0.35  0.5  1.0
  Hf  Hf1  1  0.04  0.18  0.85  1.0
  Cu  Cu2  1  0.0  0.35  0.69  1.0
  Cu  Cu3  1  0.04  0.18  0.34  1.0

Hf Hf Cu Cu