data_InBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   135.49
_cell_angle_beta   118.79
_cell_angle_gamma   78.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi2B
_chemical_formula_sum   'In1 Bi2 B1'
_cell_volume   102.95
_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  In3  1  0.0  0.0  0.3  1.0
  Bi  Bi1  1  0.0  0.84  0.42  1.0
  Bi  Bi2  1  0.11  0.0  0.89  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_InBi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   61.21
_cell_angle_beta   67.74
_cell_angle_gamma   67.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi2B
_chemical_formula_sum   'In1 Bi2 B1'
_cell_volume   102.95
_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  0.3  -0.0  0.7  1.0
  Bi  Bi1  1  0.42  -0.0  0.42  1.0
  Bi  Bi2  1  0.78  0.11  0.11  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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