data_Hf3Sc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   7.79
_cell_angle_alpha   118.75
_cell_angle_beta   118.75
_cell_angle_gamma   33.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc2
_chemical_formula_sum   'Hf3 Sc2'
_cell_volume   114.21
_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  0.87  0.0  0.05  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.9  0.0  0.69  1.0
  Sc  Sc3  1  0.04  0.0  0.37  1.0
  Sc  Sc4  1  0.73  0.0  0.37  1.0

data_Hf3Sc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.57
_cell_length_c   7.07
_cell_angle_alpha   75.05
_cell_angle_beta   77.02
_cell_angle_gamma   73.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc2
_chemical_formula_sum   'Hf3 Sc2'
_cell_volume   114.21
_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  0.0  1.0
  Hf  Hf1  1  0.0  0.21  0.69  1.0
  Hf  Hf2  1  0.0  0.83  0.05  1.0
  Sc  Sc3  1  0.0  0.36  0.37  1.0
  Sc  Sc4  1  0.0  0.67  0.37  1.0

Hf Hf Hf Sc Sc