data_Hf2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   136.77
_cell_angle_beta   136.77
_cell_angle_gamma   62.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuPb
_chemical_formula_sum   'Hf2 Cu1 Pb1'
_cell_volume   82.73
_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  0.07  0.0  0.4  1.0
  Hf  Hf2  1  0.0  0.0  0.81  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.07  0.4  1.0

data_Hf2CuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.63
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuPb
_chemical_formula_sum   'Hf2 Cu1 Pb1'
_cell_volume   82.73
_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  0.19  0.0  0.19  1.0
  Hf  Hf1  1  0.6  0.0  0.67  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.67  0.07  0.67  1.0

Hf Hf Cu Pb
Hf Hf Cu Pb 0 3 o o o 1 2 o o + 