data_NaAsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   3.99
_cell_angle_alpha   91.48
_cell_angle_beta   91.48
_cell_angle_gamma   31.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsBr2
_chemical_formula_sum   'Na1 As1 Br2'
_cell_volume   121.11
_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  0.31  0.0  0.73  1.0
  As  As0  1  0.01  0.0  0.26  1.0
  Br  Br1  1  0.56  0.0  0.72  1.0
  Br  Br2  1  0.74  0.0  0.27  1.0

data_NaAsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.11
_cell_length_c   7.66
_cell_angle_alpha   105.58
_cell_angle_beta   91.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsBr2
_chemical_formula_sum   'Na1 As1 Br2'
_cell_volume   121.11
_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  0.27  0.0  0.69  1.0
  As  As1  1  0.74  0.0  0.99  1.0
  Br  Br2  1  0.28  0.0  0.44  1.0
  Br  Br3  1  0.73  0.0  0.26  1.0

Na As Br Br