data_Na2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68
_cell_length_b   9.68
_cell_length_c   9.68
_cell_angle_alpha   20.85
_cell_angle_beta   20.85
_cell_angle_gamma   20.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SbSe
_chemical_formula_sum   'Na2 Sb1 Se1'
_cell_volume   100.71
_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  Na0  1  0.0  0.0  0.03  1.0
  Na  Na1  1  0.0  0.0  0.38  1.0
  Sb  Sb2  1  0.0  0.0  0.2  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Na2SbSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   3.5
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   102.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SbSe
_chemical_formula_sum   'Na4 Sb2 Se2'
_cell_volume   201.41
_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  0.62  1.0
  Na  Na1  2  0.0  0.0  0.97  1.0
  Sb  Sb2  2  0.0  0.0  0.8  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Na Na Sb Se