data_HfSc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.38
_cell_angle_alpha   101.88
_cell_angle_beta   101.88
_cell_angle_gamma   33.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Sn
_chemical_formula_sum   'Hf1 Sc2 Sn1'
_cell_volume   91.39
_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  0.32  1.0
  Sc  Sc1  1  0.04  0.0  0.05  1.0
  Sc  Sc2  1  0.69  0.0  0.89  1.0
  Sn  Sn3  1  0.78  0.0  0.62  1.0

data_HfSc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.38
_cell_length_c   5.61
_cell_angle_alpha   101.88
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Sn
_chemical_formula_sum   'Hf1 Sc2 Sn1'
_cell_volume   91.39
_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  0.32  0.87  1.0
  Sc  Sc1  1  0.0  0.05  0.04  1.0
  Sc  Sc2  1  0.0  0.89  0.69  1.0
  Sn  Sn3  1  0.0  0.62  0.78  1.0

Hf Sc Sc Sn