data_NaNb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.16
_cell_length_b   11.16
_cell_length_c   11.16
_cell_angle_alpha   14.53
_cell_angle_beta   14.53
_cell_angle_gamma   14.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Mo
_chemical_formula_sum   'Na1 Nb2 Mo1'
_cell_volume   76.16
_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  Na1  1  0.0  0.0  0.9  1.0
  Nb  Nb2  1  0.0  0.0  0.94  1.0
  Nb  Nb3  1  0.0  0.0  0.22  1.0
  Mo  Mo0  1  0.0  0.0  0.73  1.0

data_NaNb2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNb2Mo
_chemical_formula_sum   'Na2 Nb4 Mo2'
_cell_volume   152.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.1  1.0
  Nb  Nb1  2  0.0  0.0  0.06  1.0
  Nb  Nb2  2  0.0  0.0  0.78  1.0
  Mo  Mo3  2  0.0  0.0  0.27  1.0

Na Nb Nb Mo
Na Nb Nb Mo 0 1 o o o 0 3 o o o 1 2 o o + 2 2 o + - 2 2 + - o 2 2 + o - 