data_HfMgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   149.47
_cell_angle_beta   141.23
_cell_angle_gamma   50.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgGe
_chemical_formula_sum   'Hf1 Mg1 Ge1'
_cell_volume   58.7
_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  0.0  0.74  1.0
  Mg  Mg2  1  0.0  0.0  0.59  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_HfMgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.79
_cell_length_c   5.7
_cell_angle_alpha   109.38
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgGe
_chemical_formula_sum   'Hf1 Mg1 Ge1'
_cell_volume   58.7
_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  0.26  0.26  0.26  1.0
  Mg  Mg1  1  0.41  0.41  0.41  1.0
  Ge  Ge2  1  1.0  1.0  1.0  1.0

Hf Mg Ge
Hf Mg Ge 0 1 o o o 0 2 o o + 