data_HfGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.63
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   93.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe3
_chemical_formula_sum   'Hf1 Ge3'
_cell_volume   73.28
_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  Hf3  1  0.84  0.0  0.76  1.0
  Ge  Ge0  1  0.69  0.82  0.4  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.64  0.82  0.13  1.0

data_HfGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.65
_cell_length_c   5.54
_cell_angle_alpha   93.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe3
_chemical_formula_sum   'Hf1 Ge3'
_cell_volume   73.28
_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  0.16  0.24  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.18  0.31  0.6  1.0
  Ge  Ge3  1  0.18  0.36  0.87  1.0

Hf Ge Ge Ge