data_NaAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   7.33
_cell_angle_alpha   91.9
_cell_angle_beta   91.9
_cell_angle_gamma   43.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Br
_chemical_formula_sum   'Na1 As2 Br1'
_cell_volume   126.12
_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  0.67  0.0  0.91  1.0
  As  As0  1  0.65  0.0  0.03  1.0
  As  As1  1  0.78  0.0  0.83  1.0
  Br  Br2  1  0.36  0.0  0.22  1.0

data_NaAs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.98
_cell_length_c   7.33
_cell_angle_alpha   91.9
_cell_angle_beta   90.0
_cell_angle_gamma   111.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Br
_chemical_formula_sum   'Na1 As2 Br1'
_cell_volume   126.12
_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  0.33  0.09  1.0
  As  As1  1  0.0  0.22  0.17  1.0
  As  As2  1  0.0  0.35  0.97  1.0
  Br  Br3  1  0.0  0.64  0.78  1.0

Na As As Br