data_HfGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   3.57
_cell_angle_alpha   95.46
_cell_angle_beta   95.46
_cell_angle_gamma   92.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeTe2
_chemical_formula_sum   'Hf1 Ge1 Te2'
_cell_volume   95.12
_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  0.58  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.55  0.12  0.77  1.0
  Te  Te3  1  0.55  0.88  0.77  1.0

data_HfGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   92.64
_cell_angle_beta   95.46
_cell_angle_gamma   95.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeTe2
_chemical_formula_sum   'Hf1 Ge1 Te2'
_cell_volume   95.12
_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  0.58  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.77  0.55  0.12  1.0
  Te  Te3  1  0.77  0.55  0.88  1.0

Hf Ge Te Te