data_Na2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   157.4
_cell_angle_beta   157.21
_cell_angle_gamma   32.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SbBr
_chemical_formula_sum   'Na2 Sb1 Br1'
_cell_volume   112.25
_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  0.8  0.54  1.0
  Na  Na2  1  0.0  0.0  0.75  1.0
  Sb  Sb3  1  0.0  0.8  0.96  1.0
  Br  Br0  1  0.0  0.0  0.98  1.0

data_Na2SbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.6
_cell_length_c   9.1
_cell_angle_alpha   101.39
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SbBr
_chemical_formula_sum   'Na2 Sb1 Br1'
_cell_volume   112.25
_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  0.25  0.25  0.25  1.0
  Na  Na1  1  0.46  0.26  0.26  1.0
  Sb  Sb2  1  0.04  0.84  0.84  1.0
  Br  Br3  1  0.02  0.02  0.02  1.0

Na Na Sb Br