data_TeINO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   9.01
_cell_length_c   9.91
_cell_angle_alpha   89.49
_cell_angle_beta   70.8
_cell_angle_gamma   74.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeINO10
_chemical_formula_sum   'Te2 I2 N2 O20'
_cell_volume   559.82
_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
  Te  Te0  1  0.38  0.38  0.13  1.0
  Te  Te1  1  0.18  0.5  0.2  1.0
  I  I2  1  0.71  0.95  0.07  1.0
  I  I3  1  0.85  0.93  0.25  1.0
  N  N4  1  0.05  0.4  0.45  1.0
  N  N5  1  0.51  0.48  0.88  1.0
  O  O6  1  0.74  0.49  0.15  1.0
  O  O7  1  0.82  0.39  0.18  1.0
  O  O8  1  0.88  0.86  0.15  1.0
  O  O9  1  0.68  0.02  0.18  1.0
  O  O10  1  0.78  0.1  0.94  1.0
  O  O11  1  0.77  0.79  0.38  1.0
  O  O12  1  0.96  0.72  0.23  1.0
  O  O13  1  0.6  0.16  0.1  1.0
  O  O14  1  0.01  0.44  0.45  1.0
  O  O15  1  0.55  0.44  0.88  1.0
  O  O16  1  0.28  0.6  0.64  1.0
  O  O17  1  0.28  0.28  0.69  1.0
  O  O18  1  0.06  0.48  0.35  1.0
  O  O19  1  0.5  0.4  0.98  1.0
  O  O20  1  0.51  0.69  0.01  1.0
  O  O21  1  0.04  0.19  0.32  1.0
  O  O22  1  0.82  0.18  0.44  1.0
  O  O23  1  0.73  0.7  0.89  1.0
  O  O24  1  0.55  0.76  0.29  1.0
  O  O25  1  0.01  0.12  0.03  1.0

data_TeINO10
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.91
_cell_length_b   9.01
_cell_length_c   9.91
_cell_angle_alpha   89.49
_cell_angle_beta   70.8
_cell_angle_gamma   74.62
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeINO10
_chemical_formula_sum   'Te2 I2 N2 O20'
_cell_volume   559.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Te  Te0  2  0.1  0.94  0.96  1.0
  I  I1  2  0.43  0.51  0.91  1.0
  N  N2  2  0.23  0.04  0.72  1.0
  O  O3  2  0.0  0.84  0.52  1.0
  O  O4  2  0.22  0.96  0.82  1.0
  O  O5  2  0.24  0.25  0.84  1.0
  O  O6  2  0.27  0.0  0.72  1.0
  O  O7  2  0.27  0.32  0.13  1.0
  O  O8  2  0.32  0.72  0.94  1.0
  O  O9  2  0.4  0.58  0.01  1.0
  O  O10  2  0.46  0.26  0.72  1.0
  O  O11  2  0.46  0.05  0.98  1.0
  O  O12  2  0.49  0.35  0.22  1.0

Te Te I I N N O O O O O O O O O O O O O O O O O O O O