data_In4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   93.98
_cell_angle_beta   93.98
_cell_angle_gamma   149.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In4B
_chemical_formula_sum   'In4 B1'
_cell_volume   115.95
_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  0.63  0.07  0.0  1.0
  In  In2  1  0.07  0.8  0.0  1.0
  In  In3  1  0.58  0.14  0.63  1.0
  In  In4  1  0.14  0.42  0.63  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_In4B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   86.02
_cell_angle_beta   74.73
_cell_angle_gamma   74.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In4B
_chemical_formula_sum   'In4 B1'
_cell_volume   115.95
_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  0.07  0.0  0.56  1.0
  In  In1  1  0.52  0.63  0.44  1.0
  In  In2  1  0.79  0.63  0.73  1.0
  In  In3  1  0.8  0.0  0.27  1.0
  B  B4  1  0.0  0.0  0.0  1.0

In In In In B
In In In In B 0 1 o - o 0 1 + o o 0 2 o o - 0 4 + o o 0 3 o - - 1 4 o + o 1 2 - o - 2 3 o - o 2 3 + o o 