data_NdInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   8.24
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdInO3
_chemical_formula_sum   'Nd4 In4 O12'
_cell_volume   281.09
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.38  0.06  0.58  1.0
  Nd  Nd1  1  0.63  0.18  0.74  1.0
  Nd  Nd2  1  0.38  0.06  0.94  1.0
  Nd  Nd3  1  0.62  0.18  0.1  1.0
  In  In4  1  0.0  0.0  0.84  1.0
  In  In5  1  0.0  0.12  0.84  1.0
  In  In6  1  0.0  0.0  0.0  1.0
  In  In7  1  0.0  0.12  0.0  1.0
  O  O8  1  0.35  0.18  0.56  1.0
  O  O9  1  0.15  0.65  0.06  1.0
  O  O10  1  0.15  0.71  0.06  1.0
  O  O11  1  0.86  0.53  0.91  1.0
  O  O12  1  0.86  0.59  0.91  1.0
  O  O13  1  0.66  0.06  0.72  1.0
  O  O14  1  0.35  0.18  0.96  1.0
  O  O15  1  0.14  0.71  0.78  1.0
  O  O16  1  0.14  0.65  0.78  1.0
  O  O17  1  0.86  0.53  0.62  1.0
  O  O18  1  0.86  0.59  0.62  1.0
  O  O19  1  0.65  0.06  0.12  1.0

data_NdInO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   6.0
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdInO3
_chemical_formula_sum   'Nd4 In4 O12'
_cell_volume   281.09
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.1  0.62  0.18  1.0
  Nd  Nd1  1  0.58  0.38  0.06  1.0
  Nd  Nd2  1  0.74  0.63  0.18  1.0
  Nd  Nd3  1  0.94  0.38  0.06  1.0
  In  In4  1  0.0  0.0  0.0  1.0
  In  In5  1  0.0  0.0  0.12  1.0
  In  In6  1  0.84  0.0  0.0  1.0
  In  In7  1  0.84  0.0  0.12  1.0
  O  O8  1  0.06  0.15  0.65  1.0
  O  O9  1  0.06  0.15  0.71  1.0
  O  O10  1  0.12  0.65  0.06  1.0
  O  O11  1  0.56  0.35  0.18  1.0
  O  O12  1  0.62  0.86  0.53  1.0
  O  O13  1  0.62  0.86  0.59  1.0
  O  O14  1  0.72  0.66  0.06  1.0
  O  O15  1  0.78  0.14  0.65  1.0
  O  O16  1  0.78  0.14  0.71  1.0
  O  O17  1  0.91  0.86  0.53  1.0
  O  O18  1  0.91  0.86  0.59  1.0
  O  O19  1  0.96  0.35  0.18  1.0

Nd Nd Nd Nd In In In In O O O O O O O O O O O O
Nd Nd Nd Nd In In In In O O O O O O O O O O O O 0 8 o o o 1 13 o o o 2 14 o o o 3 19 o o o 4 6 o o + 4 5 o o o 5 7 o o + 6 7 o o o 9 10 o o o 11 12 o o o 15 16 o o o 17 18 o o o 