data_Na2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   141.11
_cell_angle_beta   141.11
_cell_angle_gamma   56.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SbMo
_chemical_formula_sum   'Na2 Sb1 Mo1'
_cell_volume   90.2
_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  0.04  0.0  0.71  1.0
  Na  Na2  1  0.0  0.04  0.71  1.0
  Sb  Sb3  1  0.0  0.0  0.41  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Na2SbMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   118.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SbMo
_chemical_formula_sum   'Na4 Sb2 Mo2'
_cell_volume   180.39
_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  4  0.02  0.02  0.34  1.0
  Sb  Sb1  2  0.0  0.0  0.59  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Na Na Sb Mo