data_In2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33
_cell_length_b   10.33
_cell_length_c   10.33
_cell_angle_alpha   19.21
_cell_angle_beta   19.21
_cell_angle_gamma   19.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiBi
_chemical_formula_sum   'In2 Si1 Bi1'
_cell_volume   104.18
_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  0.46  1.0
  In  In2  1  0.0  0.0  0.94  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.2  1.0

data_In2SiBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.45
_cell_length_c   10.33
_cell_angle_alpha   90.0
_cell_angle_beta   101.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2SiBi
_chemical_formula_sum   'In4 Si2 Bi2'
_cell_volume   208.37
_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  0.0  0.0  0.06  1.0
  In  In1  2  0.0  0.0  0.54  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.8  1.0

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