data_HfGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeMo2
_chemical_formula_sum   'Hf1 Ge1 Mo2'
_cell_volume   68.66
_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  0.26  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.69  0.0  0.55  1.0
  Mo  Mo3  1  0.69  0.0  0.97  1.0

data_HfGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeMo2
_chemical_formula_sum   'Hf1 Ge1 Mo2'
_cell_volume   68.66
_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  0.0  0.0  0.26  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.69  0.0  0.55  1.0
  Mo  Mo3  1  0.69  0.0  0.97  1.0

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