data_Hf5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.63
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   98.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Mo
_chemical_formula_sum   'Hf5 Mo1'
_cell_volume   126.06
_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  0.49  0.32  0.42  1.0
  Hf  Hf1  1  0.94  0.0  0.95  1.0
  Hf  Hf2  1  0.32  0.32  0.37  1.0
  Hf  Hf3  1  0.81  0.0  0.8  1.0
  Hf  Hf4  1  0.27  0.32  0.32  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0

data_Hf5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.63
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   98.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Mo
_chemical_formula_sum   'Hf5 Mo1'
_cell_volume   126.06
_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  0.27  0.32  0.32  1.0
  Hf  Hf1  1  0.32  0.32  0.37  1.0
  Hf  Hf2  1  0.49  0.32  0.42  1.0
  Hf  Hf3  1  0.81  0.0  0.8  1.0
  Hf  Hf4  1  0.94  0.0  0.95  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Hf Mo
Hf Hf Hf Hf Hf Mo 0 2 o o o 1 5 + o + 1 3 o o o 2 4 o o o 