data_Hf2InTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.09
_cell_angle_alpha   110.4
_cell_angle_beta   110.4
_cell_angle_gamma   35.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InTe
_chemical_formula_sum   'Hf2 In1 Te1'
_cell_volume   91.16
_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  0.13  0.0  0.51  1.0
  Hf  Hf1  1  0.62  0.0  0.34  1.0
  In  In2  1  0.61  0.0  0.16  1.0
  Te  Te3  1  0.39  0.0  0.84  1.0

data_Hf2InTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.09
_cell_length_c   5.75
_cell_angle_alpha   110.4
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InTe
_chemical_formula_sum   'Hf2 In1 Te1'
_cell_volume   91.16
_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  0.34  0.62  1.0
  Hf  Hf1  1  0.0  0.51  0.13  1.0
  In  In2  1  0.0  0.16  0.61  1.0
  Te  Te3  1  0.0  0.84  0.39  1.0

Hf Hf In Te
Hf Hf In Te 0 3 o o o 1 2 o o o 2 3 o o - 