data_Hf2NbCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.54
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbCu
_chemical_formula_sum   'Hf2 Nb1 Cu1'
_cell_volume   74.75
_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  0.59  0.77  0.61  1.0
  Hf  Hf2  1  0.59  0.77  0.04  1.0
  Nb  Nb3  1  0.0  0.0  0.33  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Hf2NbCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.54
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbCu
_chemical_formula_sum   'Hf2 Nb1 Cu1'
_cell_volume   74.75
_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  0.59  0.77  0.04  1.0
  Hf  Hf1  1  0.59  0.77  0.61  1.0
  Nb  Nb2  1  0.0  0.0  0.33  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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