data_HfInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   42.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInTe2
_chemical_formula_sum   'Hf1 In1 Te2'
_cell_volume   109.64
_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  0.66  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.92  1.0
  Te  Te2  1  0.66  0.0  0.88  1.0
  Te  Te3  1  0.0  0.0  0.86  1.0

data_HfInTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.31
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   111.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInTe2
_chemical_formula_sum   'Hf1 In1 Te2'
_cell_volume   109.64
_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  1.0  0.66  1.0  1.0
  In  In1  1  0.08  0.0  0.08  1.0
  Te  Te2  1  0.12  0.66  0.12  1.0
  Te  Te3  1  0.14  0.0  0.14  1.0

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