data_Hf2MnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   21.75
_cell_angle_beta   21.75
_cell_angle_gamma   21.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnGe
_chemical_formula_sum   'Hf2 Mn1 Ge1'
_cell_volume   72.37
_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  0.36  1.0
  Hf  Hf2  1  0.0  0.0  0.35  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.36  1.0

data_Hf2MnGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   3.19
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MnGe
_chemical_formula_sum   'Hf4 Mn2 Ge2'
_cell_volume   144.73
_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  2  0.0  0.0  0.64  1.0
  Hf  Hf1  2  0.0  0.0  0.65  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.64  1.0

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