data_HfSc2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   131.62
_cell_angle_beta   130.1
_cell_angle_gamma   72.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Ta
_chemical_formula_sum   'Hf1 Sc2 Ta1'
_cell_volume   86.23
_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  0.48  1.0
  Sc  Sc1  1  0.0  0.26  0.33  1.0
  Sc  Sc2  1  0.0  0.0  0.19  1.0
  Ta  Ta3  1  0.0  0.26  0.0  1.0

data_HfSc2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.52
_cell_length_c   5.36
_cell_angle_alpha   114.95
_cell_angle_beta   114.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Ta
_chemical_formula_sum   'Hf1 Sc2 Ta1'
_cell_volume   86.23
_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  0.52  0.52  0.52  1.0
  Sc  Sc1  1  0.67  0.93  0.93  1.0
  Sc  Sc2  1  0.81  0.81  0.81  1.0
  Ta  Ta3  1  1.0  0.26  0.26  1.0

Hf Sc Sc Ta
Hf Sc Sc Ta 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o o 