data_HfMg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   2.99
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   122.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ge
_chemical_formula_sum   'Hf1 Mg2 Ge1'
_cell_volume   80.06
_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  0.88  0.0  0.0  1.0
  Mg  Mg2  1  0.75  0.38  0.33  1.0
  Mg  Mg3  1  0.75  0.62  0.33  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_HfMg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.12
_cell_length_c   5.98
_cell_angle_alpha   114.28
_cell_angle_beta   102.76
_cell_angle_gamma   93.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ge
_chemical_formula_sum   'Hf1 Mg2 Ge1'
_cell_volume   80.06
_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  0.0  0.88  1.0
  Mg  Mg1  1  0.7  0.38  0.13  1.0
  Mg  Mg2  1  0.95  0.62  0.38  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Hf Mg Mg Ge