data_NaHf2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.28
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Mo
_chemical_formula_sum   'Na1 Hf2 Mo1'
_cell_volume   88.31
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.47  0.14  0.06  1.0
  Hf  Hf1  1  0.3  0.14  0.77  1.0
  Mo  Mo2  1  0.37  0.0  0.41  1.0

data_NaHf2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.28
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Mo
_chemical_formula_sum   'Na1 Hf2 Mo1'
_cell_volume   88.31
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.3  0.14  0.77  1.0
  Hf  Hf2  1  0.47  0.14  0.06  1.0
  Mo  Mo3  1  0.37  0.0  0.41  1.0

Na Hf Hf Mo