data_NaSbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   147.59
_cell_angle_beta   147.59
_cell_angle_gamma   46.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSbMo
_chemical_formula_sum   'Na1 Sb1 Mo1'
_cell_volume   68.23
_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  0.59  1.0
  Sb  Sb2  1  0.0  0.0  0.15  1.0
  Mo  Mo0  1  0.0  0.0  0.05  1.0

data_NaSbMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   113.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSbMo
_chemical_formula_sum   'Na2 Sb2 Mo2'
_cell_volume   136.46
_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  0.09  0.5  0.59  1.0
  Sb  Sb1  2  0.15  0.0  0.15  1.0
  Mo  Mo2  2  0.05  0.0  0.05  1.0

Na Sb Mo
Na Sb Mo 0 0 + o + 0 0 o + + 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 2 o o o 