data_InB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2
_chemical_formula_sum   'In2 B4'
_cell_volume   84.56
_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  In4  1  0.36  0.36  0.1  1.0
  In  In5  1  0.0  0.73  0.29  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.0  0.19  1.0
  B  B2  1  0.36  0.36  0.29  1.0
  B  B3  1  0.0  0.73  0.1  1.0

data_InB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2
_chemical_formula_sum   'In2 B4'
_cell_volume   84.56
_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  In0  1  0.1  0.36  0.36  1.0
  In  In1  1  0.29  -0.0  0.73  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.1  -0.0  0.73  1.0
  B  B4  1  0.19  0.0  0.0  1.0
  B  B5  1  0.29  0.36  0.36  1.0

In In B B B B