data_InSiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiBr2
_chemical_formula_sum   'In1 Si1 Br2'
_cell_volume   106.62
_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
  In  In2  1  0.77  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.89  0.93  0.83  1.0
  Br  Br1  1  0.89  0.07  0.83  1.0

data_InSiBr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.67
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InSiBr2
_chemical_formula_sum   'In1 Si1 Br2'
_cell_volume   106.64
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  In  In0  1  0.0  0.0  0.77  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Br  Br2  2  0.83  0.07  0.89  1.0

In Si Br Br