data_HfCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrGe2
_chemical_formula_sum   'Hf1 Cr1 Ge2'
_cell_volume   68.68
_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  0.02  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.51  0.85  0.53  1.0
  Ge  Ge2  1  0.51  0.15  0.53  1.0

data_HfCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   101.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrGe2
_chemical_formula_sum   'Hf1 Cr1 Ge2'
_cell_volume   68.68
_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  0.02  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.53  0.51  0.15  1.0
  Ge  Ge3  1  0.53  0.51  0.85  1.0

Hf Cr Ge Ge
Hf Cr Ge Ge 0 1 o o o 2 3 o + o 