data_HfMnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnGe
_chemical_formula_sum   'Hf3 Mn3 Ge3'
_cell_volume   146.68
_cell_formula_units_Z   3
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  Hf3  1  0.93  0.0  0.0  1.0
  Hf  Hf4  1  0.03  0.4  0.0  1.0
  Hf  Hf5  1  0.38  0.4  0.0  1.0
  Mn  Mn6  1  0.64  0.0  0.89  1.0
  Mn  Mn7  1  0.18  0.42  0.89  1.0
  Mn  Mn8  1  0.53  0.38  0.89  1.0
  Ge  Ge0  1  0.0  0.87  0.89  1.0
  Ge  Ge1  1  0.35  0.93  0.89  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_HfMnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnGe
_chemical_formula_sum   'Hf3 Mn3 Ge3'
_cell_volume   146.68
_cell_formula_units_Z   3
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  0.0  0.03  0.4  1.0
  Hf  Hf1  1  0.0  0.93  0.0  1.0
  Hf  Hf2  1  0.0  0.38  0.4  1.0
  Mn  Mn3  1  0.89  0.18  0.42  1.0
  Mn  Mn4  1  0.89  0.53  0.38  1.0
  Mn  Mn5  1  0.89  0.64  0.0  1.0
  Ge  Ge6  1  0.0  0.0  0.0  1.0
  Ge  Ge7  1  0.89  -0.0  0.87  1.0
  Ge  Ge8  1  0.89  0.35  0.93  1.0

Hf Hf Hf Mn Mn Mn Ge Ge Ge
Hf Hf Hf Mn Mn Mn Ge Ge Ge 0 8 + o o 0 3 o o - 1 4 o o - 2 5 o o - 3 7 o - o 6 8 o + + 