data_HfMnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   137.68
_cell_angle_beta   137.68
_cell_angle_gamma   61.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnGe2
_chemical_formula_sum   'Hf1 Mn1 Ge2'
_cell_volume   67.34
_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  Hf2  1  0.92  0.0  0.29  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.92  0.29  1.0
  Ge  Ge1  1  0.0  0.0  0.57  1.0

data_HfMnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.32
_cell_angle_alpha   111.16
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnGe2
_chemical_formula_sum   'Hf1 Mn1 Ge2'
_cell_volume   67.34
_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  0.29  0.37  0.37  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.37  0.29  0.37  1.0
  Ge  Ge3  1  0.57  0.57  0.57  1.0

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