data_HfZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   149.23
_cell_angle_beta   149.23
_cell_angle_gamma   44.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnCu
_chemical_formula_sum   'Hf1 Zn1 Cu1'
_cell_volume   47.81
_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  0.0  0.0  0.97  1.0
  Zn  Zn2  1  0.0  0.0  0.7  1.0
  Cu  Cu0  1  0.0  0.0  0.4  1.0

data_HfZnCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   112.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZnCu
_chemical_formula_sum   'Hf2 Zn2 Cu2'
_cell_volume   95.62
_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
  Hf  Hf0  2  0.47  0.5  0.97  1.0
  Zn  Zn1  2  0.2  0.5  0.7  1.0
  Cu  Cu2  2  0.4  0.0  0.4  1.0

Hf Zn Cu