data_Hf2MgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   133.17
_cell_angle_beta   133.17
_cell_angle_gamma   68.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgGe
_chemical_formula_sum   'Hf2 Mg1 Ge1'
_cell_volume   78.0
_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  0.11  0.19  1.0
  Hf  Hf2  1  0.11  0.0  0.19  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.39  1.0

data_Hf2MgGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   124.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MgGe
_chemical_formula_sum   'Hf4 Mg2 Ge2'
_cell_volume   156.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.45  0.91  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.11  0.5  0.61  1.0

Hf Hf Mg Ge
Hf Hf Mg Ge 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 