data_HfSc2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   133.92
_cell_angle_beta   133.92
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Zn
_chemical_formula_sum   'Hf1 Sc2 Zn1'
_cell_volume   83.02
_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  0.14  0.27  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.14  0.0  0.27  1.0
  Zn  Zn3  1  0.0  0.0  0.55  1.0

data_HfSc2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.46
_cell_angle_alpha   113.04
_cell_angle_beta   113.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Zn
_chemical_formula_sum   'Hf1 Sc2 Zn1'
_cell_volume   83.02
_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  0.86  0.14  0.86  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.73  0.0  0.86  1.0
  Zn  Zn3  1  0.45  0.0  0.45  1.0

Hf Sc Sc Zn