data_Na2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Mo
_chemical_formula_sum   'Na8 Mo4'
_cell_volume   442.48
_cell_formula_units_Z   4
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  Na4  1  0.99  0.8  0.63  1.0
  Na  Na5  1  0.63  0.82  0.99  1.0
  Na  Na6  1  0.8  0.63  0.99  1.0
  Na  Na7  1  0.82  0.99  0.63  1.0
  Na  Na8  1  0.63  0.99  0.8  1.0
  Na  Na9  1  0.99  0.63  0.82  1.0
  Na  Na10  1  0.82  0.82  0.82  1.0
  Na  Na11  1  0.8  0.8  0.8  1.0
  Mo  Mo0  1  0.81  0.0  0.81  1.0
  Mo  Mo1  1  0.0  0.81  0.81  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.81  0.81  0.0  1.0

data_Na2Mo
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.78
_cell_length_b   10.78
_cell_length_c   13.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Na2Mo
_chemical_formula_sum   'Na24 Mo12'
_cell_volume   1327.44
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.01  0.18  0.81  1.0
  Na  Na1  9  0.16  0.67  0.47  1.0
  Na  Na2  3  0.0  0.0  0.8  1.0
  Na  Na3  3  0.0  0.0  0.82  1.0
  Mo  Mo4  9  0.13  0.06  0.87  1.0
  Mo  Mo5  3  0.0  0.0  0.0  1.0

Na Na Na Na Na Na Na Na Mo Mo Mo Mo