data_InBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   122.36
_cell_angle_beta   122.36
_cell_angle_gamma   85.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBPb2
_chemical_formula_sum   'In1 B1 Pb2'
_cell_volume   100.64
_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  0.0  0.0  0.87  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.55  0.93  1.0
  Pb  Pb3  1  0.55  0.0  0.93  1.0

data_InBPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   132.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InBPb2
_chemical_formula_sum   'In2 B2 Pb4'
_cell_volume   201.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.13  0.0  0.13  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  4  0.34  0.27  0.61  1.0

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