data_NaAl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Mo
_chemical_formula_sum   'Na1 Al2 Mo1'
_cell_volume   72.47
_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  0.41  1.0
  Al  Al0  1  0.83  0.0  0.2  1.0
  Al  Al1  1  0.0  0.0  0.06  1.0
  Mo  Mo2  1  0.83  0.0  0.1  1.0

data_NaAl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Mo
_chemical_formula_sum   'Na1 Al2 Mo1'
_cell_volume   72.47
_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  0.41  1.0
  Al  Al1  1  0.0  0.0  0.06  1.0
  Al  Al2  1  0.83  0.0  0.2  1.0
  Mo  Mo3  1  0.83  0.0  0.1  1.0

Na Al Al Mo