data_InBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi3
_chemical_formula_sum   'In1 Bi3'
_cell_volume   120.94
_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  0.0  1.0
  Bi  Bi0  1  0.76  0.0  0.99  1.0
  Bi  Bi1  1  0.76  0.76  0.0  1.0
  Bi  Bi2  1  0.0  0.76  0.99  1.0

data_InBi3
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.98
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   InBi3
_chemical_formula_sum   'In2 Bi6'
_cell_volume   241.87
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.0  0.12  0.88  1.0
  Bi  Bi2  2  0.0  0.0  0.76  1.0

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