data_Hf2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   5.56
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GeTe
_chemical_formula_sum   'Hf2 Ge1 Te1'
_cell_volume   89.37
_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  Hf1  1  0.4  0.78  0.83  1.0
  Hf  Hf2  1  0.58  0.0  0.13  1.0
  Ge  Ge0  1  0.55  0.0  0.27  1.0
  Te  Te3  1  0.41  0.78  0.81  1.0

data_Hf2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.02
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GeTe
_chemical_formula_sum   'Hf2 Ge1 Te1'
_cell_volume   89.37
_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  0.42  0.87  0.0  1.0
  Hf  Hf1  1  0.6  0.17  0.22  1.0
  Ge  Ge2  1  0.45  0.73  0.0  1.0
  Te  Te3  1  0.59  0.19  0.22  1.0

Hf Hf Ge Te
Hf Hf Ge Te 0 3 o o o 1 2 o o o 