data_In3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   59.32
_cell_angle_beta   59.32
_cell_angle_gamma   59.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3NO3
_chemical_formula_sum   'In6 N2 O6'
_cell_volume   199.96
_cell_formula_units_Z   2
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  0.37  0.94  0.71  1.0
  In  In1  1  0.0  0.0  0.93  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.32  1.0
  In  In4  1  0.0  0.11  0.71  1.0
  In  In5  1  0.63  0.94  0.71  1.0
  N  N6  1  0.0  0.0  0.8  1.0
  N  N7  1  0.0  0.0  0.45  1.0
  O  O8  1  0.28  0.01  0.5  1.0
  O  O9  1  0.0  0.99  0.5  1.0
  O  O10  1  0.28  0.99  0.75  1.0
  O  O11  1  0.0  0.01  0.75  1.0
  O  O12  1  0.72  0.99  0.75  1.0
  O  O13  1  0.72  0.01  0.5  1.0

data_In3NO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.6
_cell_angle_alpha   60.34
_cell_angle_beta   60.34
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3NO3
_chemical_formula_sum   'In6 N2 O6'
_cell_volume   199.96
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  In  In1  1  0.0  0.07  0.93  1.0
  In  In2  1  0.0  0.68  0.32  1.0
  In  In3  1  0.06  0.29  0.28  1.0
  In  In4  1  0.06  0.29  0.02  1.0
  In  In5  1  0.89  0.29  0.82  1.0
  N  N6  1  0.0  0.2  0.8  1.0
  N  N7  1  0.0  0.55  0.45  1.0
  O  O8  1  0.01  0.25  0.46  1.0
  O  O9  1  0.01  0.25  0.02  1.0
  O  O10  1  0.01  0.5  0.49  1.0
  O  O11  1  0.99  0.25  0.76  1.0
  O  O12  1  0.99  0.5  0.22  1.0
  O  O13  1  0.99  0.5  0.78  1.0

In In In In In In N N O O O O O O
In In In In In In N N O O O O O O 0 10 o o o 0 8 o + o 1 2 o o + 3 7 o o o 4 11 o o o 4 6 o o o 4 8 o o o 5 13 o + o 5 12 o o o 6 11 o o o 6 8 o o o 7 9 o - o 8 9 o - o 8 10 o - o 8 11 o o o 