data_Hf2TaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.97
_cell_angle_alpha   100.81
_cell_angle_beta   100.81
_cell_angle_gamma   114.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaCu
_chemical_formula_sum   'Hf2 Ta1 Cu1'
_cell_volume   74.74
_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  0.95  0.28  0.39  1.0
  Hf  Hf2  1  0.95  0.72  0.39  1.0
  Ta  Ta3  1  0.94  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Hf2TaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   114.5
_cell_angle_beta   100.81
_cell_angle_gamma   100.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaCu
_chemical_formula_sum   'Hf2 Ta1 Cu1'
_cell_volume   74.74
_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  0.39  0.95  0.28  1.0
  Hf  Hf1  1  0.39  0.95  0.72  1.0
  Ta  Ta2  1  -0.0  0.94  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Hf Hf Ta Cu