data_InSiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   152.21
_cell_angle_beta   149.52
_cell_angle_gamma   41.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiB
_chemical_formula_sum   'In1 Si1 B1'
_cell_volume   50.19
_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  0.0  0.0  0.6  1.0
  Si  Si2  1  0.0  0.0  0.38  1.0
  B  B0  1  0.0  0.0  0.17  1.0

data_InSiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.14
_cell_length_c   5.97
_cell_angle_alpha   105.24
_cell_angle_beta   103.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiB
_chemical_formula_sum   'In1 Si1 B1'
_cell_volume   50.19
_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  0.0  0.6  0.6  1.0
  Si  Si1  1  0.0  0.38  0.38  1.0
  B  B2  1  0.0  0.17  0.17  1.0

In Si B