data_HfCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrGe2
_chemical_formula_sum   'Hf1 Cr1 Ge2'
_cell_volume   70.09
_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  0.81  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.04  1.0
  Ge  Ge1  1  0.81  0.0  0.36  1.0
  Ge  Ge2  1  0.0  0.0  0.25  1.0

data_HfCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrGe2
_chemical_formula_sum   'Hf1 Cr1 Ge2'
_cell_volume   70.09
_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  0.81  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.04  1.0
  Ge  Ge2  1  0.0  0.0  0.25  1.0
  Ge  Ge3  1  0.81  0.0  0.36  1.0

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