data_HfGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   137.73
_cell_angle_beta   137.73
_cell_angle_gamma   61.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Te
_chemical_formula_sum   'Hf1 Ge2 Te1'
_cell_volume   84.18
_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  Hf2  1  0.07  0.0  0.46  1.0
  Ge  Ge0  1  0.0  0.07  0.46  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.93  1.0

data_HfGe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.73
_cell_angle_alpha   111.13
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Te
_chemical_formula_sum   'Hf1 Ge2 Te1'
_cell_volume   84.18
_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  0.46  0.4  0.4  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.4  0.46  0.4  1.0
  Te  Te3  1  0.93  0.93  0.93  1.0

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