data_HfCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.46
_cell_angle_alpha   99.08
_cell_angle_beta   99.08
_cell_angle_gamma   36.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdCu2
_chemical_formula_sum   'Hf1 Cd1 Cu2'
_cell_volume   69.68
_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  Hf3  1  0.98  0.0  0.69  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.54  0.0  1.0  1.0
  Cu  Cu2  1  0.41  0.0  0.39  1.0

data_HfCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.67
_cell_length_c   5.46
_cell_angle_alpha   99.08
_cell_angle_beta   90.0
_cell_angle_gamma   108.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdCu2
_chemical_formula_sum   'Hf1 Cd1 Cu2'
_cell_volume   69.68
_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  0.02  0.31  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.46  0.0  1.0
  Cu  Cu3  1  0.0  0.59  0.61  1.0

Hf Cd Cu Cu
Hf Cd Cu Cu 0 1 + o + 0 3 + o o 0 3 o o o 1 2 o o - 1 2 - o - 1 3 o o o 2 3 o o + 3 3 + - o 