data_In3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99
_cell_length_b   7.99
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3B
_chemical_formula_sum   'In6 B2'
_cell_volume   192.84
_cell_formula_units_Z   2
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  0.7  0.96  0.38  1.0
  In  In3  1  0.7  0.04  0.79  1.0
  In  In4  1  0.47  0.91  0.38  1.0
  In  In5  1  0.93  0.09  0.79  1.0
  In  In6  1  0.47  0.09  0.79  1.0
  In  In7  1  0.93  0.91  0.38  1.0
  B  B0  1  0.7  0.13  0.38  1.0
  B  B1  1  0.7  0.87  0.79  1.0

data_In3B
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.17
_cell_length_b   7.99
_cell_length_c   7.99
_cell_angle_alpha   107.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In3B
_chemical_formula_sum   'In6 B2'
_cell_volume   192.84
_cell_formula_units_Z   2
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  2  0.29  0.73  0.91  1.0
  In  In1  2  0.29  0.27  0.91  1.0
  In  In2  2  0.29  0.5  0.96  1.0
  B  B3  2  0.29  0.5  0.13  1.0

In In In In In In B B