data_InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   16.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi
_chemical_formula_sum   'In3 Bi3'
_cell_volume   178.01
_cell_formula_units_Z   3
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
  In  In4  1  0.74  0.01  0.19  1.0
  In  In5  1  0.74  0.01  0.72  1.0
  Bi  Bi0  1  0.0  0.0  0.53  1.0
  Bi  Bi1  1  0.0  0.0  0.38  1.0
  Bi  Bi2  1  0.74  0.01  0.45  1.0

data_InBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.49
_cell_length_b   6.04
_cell_length_c   16.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InBi
_chemical_formula_sum   'In6 Bi6'
_cell_volume   356.01
_cell_formula_units_Z   6
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  0.0  0.0  0.0  1.0
  In  In1  2  0.24  0.5  0.19  1.0
  In  In2  2  0.24  0.5  0.72  1.0
  Bi  Bi3  2  0.0  0.0  0.38  1.0
  Bi  Bi4  2  0.0  0.0  0.53  1.0
  Bi  Bi5  2  0.24  0.5  0.45  1.0

In In In Bi Bi Bi