data_InSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.11
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   113.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Br
_chemical_formula_sum   'In1 Si2 Br1'
_cell_volume   87.66
_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  In1  1  0.12  0.06  0.1  1.0
  Si  Si2  1  0.49  0.0  0.52  1.0
  Si  Si3  1  0.21  0.06  0.88  1.0
  Br  Br0  1  0.17  0.0  0.51  1.0

data_InSi2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.44
_cell_length_c   5.22
_cell_angle_alpha   113.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Br
_chemical_formula_sum   'In1 Si2 Br1'
_cell_volume   87.66
_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  In0  1  0.94  0.88  0.9  1.0
  Si  Si1  1  0.0  0.51  0.48  1.0
  Si  Si2  1  0.94  0.79  0.12  1.0
  Br  Br3  1  0.0  0.83  0.49  1.0

In Si Si Br