data_Hf2ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.8
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScTe
_chemical_formula_sum   'Hf2 Sc1 Te1'
_cell_volume   91.78
_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  0.61  0.0  0.25  1.0
  Hf  Hf1  1  0.39  0.4  0.91  1.0
  Sc  Sc2  1  0.86  0.0  0.14  1.0
  Te  Te3  1  0.1  0.4  0.89  1.0

data_Hf2ScTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.8
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScTe
_chemical_formula_sum   'Hf2 Sc1 Te1'
_cell_volume   91.78
_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  0.4  0.91  1.0
  Hf  Hf1  1  0.61  0.0  0.25  1.0
  Sc  Sc2  1  0.86  0.0  0.14  1.0
  Te  Te3  1  0.1  0.4  0.89  1.0

Hf Hf Sc Te