data_Hf2ZrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   137.25
_cell_angle_beta   133.92
_cell_angle_gamma   64.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrGe
_chemical_formula_sum   'Hf2 Zr1 Ge1'
_cell_volume   81.91
_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  0.0  0.17  0.6  1.0
  Hf  Hf2  1  0.0  0.0  0.34  1.0
  Zr  Zr3  1  0.0  0.17  0.07  1.0
  Ge  Ge0  1  0.0  0.0  0.04  1.0

data_Hf2ZrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.34
_cell_length_c   5.54
_cell_angle_alpha   113.04
_cell_angle_beta   111.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrGe
_chemical_formula_sum   'Hf2 Zr1 Ge1'
_cell_volume   81.91
_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  0.34  0.34  1.0
  Hf  Hf1  1  0.83  0.43  0.43  1.0
  Zr  Zr2  1  0.83  0.9  0.9  1.0
  Ge  Ge3  1  0.0  0.04  0.04  1.0

Hf Hf Zr Ge
Hf Hf Zr Ge 0 1 o o o 2 3 o o o 