data_Hf2InTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   5.21
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InTe
_chemical_formula_sum   'Hf2 In1 Te1'
_cell_volume   97.56
_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  0.99  0.0  0.37  1.0
  Hf  Hf1  1  0.36  0.6  0.22  1.0
  In  In2  1  0.77  0.0  0.76  1.0
  Te  Te3  1  0.03  0.6  0.3  1.0

data_Hf2InTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.21
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InTe
_chemical_formula_sum   'Hf2 In1 Te1'
_cell_volume   97.56
_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  0.36  0.6  0.22  1.0
  Hf  Hf1  1  0.99  0.0  0.37  1.0
  In  In2  1  0.77  0.0  0.76  1.0
  Te  Te3  1  0.03  0.6  0.3  1.0

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