data_NaNbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   154.37
_cell_angle_beta   154.37
_cell_angle_gamma   36.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbBr
_chemical_formula_sum   'Na1 Nb1 Br1'
_cell_volume   67.68
_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  0.0  0.48  1.0
  Nb  Nb2  1  0.0  0.0  0.72  1.0
  Br  Br0  1  0.0  0.0  0.34  1.0

data_NaNbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNbBr
_chemical_formula_sum   'Na2 Nb2 Br2'
_cell_volume   135.35
_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  0.48  0.0  0.48  1.0
  Nb  Nb1  2  0.22  0.5  0.72  1.0
  Br  Br2  2  0.34  0.0  0.34  1.0

Na Nb Br
Na Nb Br 0 2 o o o 0 1 o o o 