data_HfNb2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   2.84
_cell_angle_alpha   99.88
_cell_angle_beta   99.88
_cell_angle_gamma   119.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Cu
_chemical_formula_sum   'Hf1 Nb2 Cu1'
_cell_volume   70.75
_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  0.78  0.0  0.0  1.0
  Nb  Nb2  1  0.91  0.62  0.33  1.0
  Nb  Nb3  1  0.91  0.38  0.33  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_HfNb2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.31
_cell_length_c   5.52
_cell_angle_alpha   115.83
_cell_angle_beta   99.88
_cell_angle_gamma   100.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Cu
_chemical_formula_sum   'Hf1 Nb2 Cu1'
_cell_volume   70.75
_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  0.0  0.0  0.78  1.0
  Nb  Nb1  1  0.72  0.38  0.29  1.0
  Nb  Nb2  1  0.95  0.62  0.52  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Hf Nb Nb Cu