data_Hf2MnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnGe
_chemical_formula_sum   'Hf2 Mn1 Ge1'
_cell_volume   68.82
_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  0.16  1.0
  Hf  Hf2  1  0.21  0.0  0.89  1.0
  Mn  Mn3  1  0.0  0.0  0.22  1.0
  Ge  Ge0  1  0.21  0.0  0.07  1.0

data_Hf2MnGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2MnGe
_chemical_formula_sum   'Hf2 Mn1 Ge1'
_cell_volume   68.85
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.16  1.0
  Hf  Hf1  1  0.21  0.0  0.89  1.0
  Mn  Mn2  1  0.0  0.0  0.22  1.0
  Ge  Ge3  1  0.21  0.0  0.07  1.0

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