data_InSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.32
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Bi
_chemical_formula_sum   'In1 Si2 Bi1'
_cell_volume   92.85
_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  0.46  0.0  0.2  1.0
  Si  Si2  1  0.62  0.16  0.16  1.0
  Si  Si3  1  0.98  0.0  0.24  1.0
  Bi  Bi0  1  0.29  0.16  0.43  1.0

data_InSi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.32
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Bi
_chemical_formula_sum   'In1 Si2 Bi1'
_cell_volume   92.85
_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  0.46  0.0  0.2  1.0
  Si  Si1  1  0.62  0.16  0.16  1.0
  Si  Si2  1  0.98  0.0  0.24  1.0
  Bi  Bi3  1  0.29  0.16  0.43  1.0

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