data_HfMn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   134.18
_cell_angle_beta   134.18
_cell_angle_gamma   66.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Ge
_chemical_formula_sum   'Hf1 Mn2 Ge1'
_cell_volume   60.84
_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  0.92  0.06  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.92  0.0  0.06  1.0
  Ge  Ge0  1  0.0  0.0  0.12  1.0

data_HfMn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.94
_cell_angle_alpha   112.91
_cell_angle_beta   112.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Ge
_chemical_formula_sum   'Hf1 Mn2 Ge1'
_cell_volume   60.84
_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  0.86  0.92  0.86  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.94  0.0  0.86  1.0
  Ge  Ge3  1  0.88  0.0  0.88  1.0

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