data_In2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   3.31
_cell_angle_alpha   96.11
_cell_angle_beta   96.11
_cell_angle_gamma   115.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiBi
_chemical_formula_sum   'In2 Si1 Bi1'
_cell_volume   104.23
_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  0.26  0.48  0.62  1.0
  In  In2  1  0.26  0.52  0.62  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.19  0.0  0.0  1.0

data_In2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   115.32
_cell_angle_beta   96.11
_cell_angle_gamma   96.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiBi
_chemical_formula_sum   'In2 Si1 Bi1'
_cell_volume   104.23
_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  0.62  0.26  0.52  1.0
  In  In1  1  0.62  0.26  0.48  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.19  0.0  1.0

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