data_NaInBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   148.63
_cell_angle_beta   148.63
_cell_angle_gamma   44.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInBr
_chemical_formula_sum   'Na1 In1 Br1'
_cell_volume   94.43
_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  Na2  1  0.0  0.0  0.2  1.0
  In  In1  1  0.0  0.0  0.08  1.0
  Br  Br0  1  0.0  0.0  0.74  1.0

data_NaInBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   112.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaInBr
_chemical_formula_sum   'Na2 In2 Br2'
_cell_volume   188.85
_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  0.2  0.0  0.2  1.0
  In  In1  2  0.08  0.0  0.08  1.0
  Br  Br2  2  0.24  0.5  0.74  1.0

Na In Br
Na In Br 0 1 o o o 1 2 o o - 