data_NaAsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   139.09
_cell_angle_beta   139.09
_cell_angle_gamma   59.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsBr2
_chemical_formula_sum   'Na1 As1 Br2'
_cell_volume   92.02
_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  Na3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.1  0.0  0.61  1.0
  Br  Br1  1  0.0  0.0  0.22  1.0
  Br  Br2  1  0.0  0.1  0.61  1.0

data_NaAsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.01
_cell_angle_alpha   110.45
_cell_angle_beta   110.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsBr2
_chemical_formula_sum   'Na1 As1 Br2'
_cell_volume   92.02
_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  0.0  1.0
  As  As1  1  0.39  0.0  0.49  1.0
  Br  Br2  1  0.49  0.1  0.49  1.0
  Br  Br3  1  0.78  0.0  0.78  1.0

Na As Br Br