data_Na2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SbAs
_chemical_formula_sum   'Na2 Sb1 As1'
_cell_volume   94.29
_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  0.59  0.59  0.14  1.0
  Na  Na2  1  0.59  0.59  0.24  1.0
  Sb  Sb3  1  0.0  0.0  0.69  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2SbAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SbAs
_chemical_formula_sum   'Na4 Sb2 As2'
_cell_volume   188.58
_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  0.14  1.0
  Na  Na1  2  0.09  0.5  0.24  1.0
  Sb  Sb2  2  0.0  0.0  0.69  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Na Na Sb As
Na Na Sb As 0 1 o o o 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 3 + + o 2 2 + o o 2 2 o + o 2 3 o o + 