data_In2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   144.3
_cell_angle_beta   144.3
_cell_angle_gamma   51.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BSe
_chemical_formula_sum   'In2 B1 Se1'
_cell_volume   88.44
_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  0.96  0.0  0.88  1.0
  In  In2  1  0.0  0.0  0.76  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.96  0.88  1.0

data_In2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   6.39
_cell_angle_alpha   107.85
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BSe
_chemical_formula_sum   'In2 B1 Se1'
_cell_volume   88.44
_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  0.12  0.0  0.08  1.0
  In  In1  1  0.24  0.0  0.24  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.08  0.96  0.08  1.0

In In B Se