data_Hf2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   146.74
_cell_angle_beta   131.66
_cell_angle_gamma   59.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnCu
_chemical_formula_sum   'Hf2 Zn1 Cu1'
_cell_volume   70.77
_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  Hf1  1  0.0  0.29  0.7  1.0
  Hf  Hf2  1  0.0  0.0  0.43  1.0
  Zn  Zn3  1  0.0  0.29  0.29  1.0
  Cu  Cu0  1  0.0  0.0  0.1  1.0

data_Hf2ZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.57
_cell_length_c   5.59
_cell_angle_alpha   114.17
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnCu
_chemical_formula_sum   'Hf2 Zn1 Cu1'
_cell_volume   70.77
_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  0.3  0.58  0.58  1.0
  Hf  Hf1  1  0.57  0.57  0.57  1.0
  Zn  Zn2  1  0.71  1.0  1.0  1.0
  Cu  Cu3  1  0.9  0.9  0.9  1.0

Hf Hf Zn Cu
Hf Hf Zn Cu 0 1 o o o 2 3 o o o 