data_In2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43
_cell_length_b   10.43
_cell_length_c   10.43
_cell_angle_alpha   20.1
_cell_angle_beta   20.1
_cell_angle_gamma   20.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiCl
_chemical_formula_sum   'In2 Bi1 Cl1'
_cell_volume   117.15
_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  In2  1  0.0  0.0  0.94  1.0
  In  In3  1  0.0  0.0  0.7  1.0
  Bi  Bi0  1  0.0  0.0  0.32  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_In2BiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   3.64
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2BiCl
_chemical_formula_sum   'In4 Bi2 Cl2'
_cell_volume   234.29
_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  0.3  1.0
  Bi  Bi2  2  0.0  0.0  0.68  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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