data_In2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BPb
_chemical_formula_sum   'In2 B1 Pb1'
_cell_volume   96.64
_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  0.54  0.05  0.92  1.0
  In  In2  1  0.54  0.95  0.92  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.08  0.0  0.0  1.0

data_In2BPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   106.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BPb
_chemical_formula_sum   'In2 B1 Pb1'
_cell_volume   96.64
_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  0.92  0.54  0.95  1.0
  In  In1  1  0.92  0.54  0.05  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.08  0.0  1.0

In In B Pb
In In B Pb 0 1 o - o 2 3 o o o 