data_InBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   3.63
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   94.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBCl2
_chemical_formula_sum   'In1 B1 Cl2'
_cell_volume   106.51
_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  In3  1  0.74  0.0  0.63  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.69  0.81  0.74  1.0
  Cl  Cl2  1  0.79  0.81  0.53  1.0

data_InBCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.04
_cell_length_c   7.29
_cell_angle_alpha   94.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBCl2
_chemical_formula_sum   'In1 B1 Cl2'
_cell_volume   106.51
_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  0.0  0.26  0.37  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.19  0.21  0.47  1.0
  Cl  Cl3  1  0.19  0.31  0.26  1.0

In B Cl Cl
In B Cl Cl 0 2 o - o 0 3 o - o 1 2 - - - 