data_Ba2In2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   9.66
_cell_length_c   9.66
_cell_angle_alpha   49.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2In2O5
_chemical_formula_sum   'Ba8 In8 O20'
_cell_volume   621.77
_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
  Ba  Ba0  1  0.54  0.96  0.61  1.0
  Ba  Ba1  1  0.56  0.96  0.71  1.0
  Ba  Ba2  1  0.58  0.04  0.69  1.0
  Ba  Ba3  1  0.11  0.96  0.69  1.0
  Ba  Ba4  1  0.11  0.96  0.81  1.0
  Ba  Ba5  1  0.58  0.04  0.81  1.0
  Ba  Ba6  1  0.15  0.04  0.61  1.0
  Ba  Ba7  1  0.13  0.04  0.71  1.0
  In  In8  1  0.35  0.0  0.08  1.0
  In  In9  1  0.35  0.0  0.27  1.0
  In  In10  1  0.0  0.0  0.39  1.0
  In  In11  1  0.0  0.0  0.47  1.0
  In  In12  1  0.35  0.0  0.03  1.0
  In  In13  1  0.35  0.0  0.84  1.0
  In  In14  1  0.0  0.0  0.71  1.0
  In  In15  1  0.0  0.0  0.15  1.0
  O  O16  1  0.35  0.0  0.19  1.0
  O  O17  1  0.57  0.86  0.46  1.0
  O  O18  1  0.48  0.99  0.68  1.0
  O  O19  1  0.01  0.96  0.95  1.0
  O  O20  1  0.35  0.04  0.21  1.0
  O  O21  1  0.46  0.04  0.99  1.0
  O  O22  1  0.0  0.0  0.48  1.0
  O  O23  1  0.0  0.0  0.33  1.0
  O  O24  1  0.35  0.0  0.95  1.0
  O  O25  1  0.69  0.04  0.95  1.0
  O  O26  1  0.35  0.96  0.21  1.0
  O  O27  1  0.48  0.01  0.44  1.0
  O  O28  1  0.21  0.01  0.68  1.0
  O  O29  1  0.13  0.14  0.46  1.0
  O  O30  1  0.57  0.14  0.22  1.0
  O  O31  1  0.0  0.0  0.24  1.0
  O  O32  1  0.0  0.0  0.09  1.0
  O  O33  1  0.13  0.86  0.22  1.0
  O  O34  1  0.21  0.99  0.44  1.0
  O  O35  1  0.23  0.96  0.99  1.0

data_Ba2In2O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.17
_cell_length_b   8.7
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   114.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2In2O5
_chemical_formula_sum   'Ba8 In8 O20'
_cell_volume   621.77
_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
  Ba  Ba0  1  0.19  0.58  0.15  1.0
  Ba  Ba1  1  0.19  0.11  0.23  1.0
  Ba  Ba2  1  0.29  0.13  0.25  1.0
  Ba  Ba3  1  0.29  0.56  0.33  1.0
  Ba  Ba4  1  0.31  0.11  0.35  1.0
  Ba  Ba5  1  0.31  0.58  0.27  1.0
  Ba  Ba6  1  0.39  0.15  0.34  1.0
  Ba  Ba7  1  0.39  0.54  0.43  1.0
  In  In8  1  0.16  0.35  0.16  1.0
  In  In9  1  0.29  0.0  0.29  1.0
  In  In10  1  0.53  0.0  0.53  1.0
  In  In11  1  0.61  0.0  0.61  1.0
  In  In12  1  0.73  0.35  0.73  1.0
  In  In13  1  0.85  0.0  0.85  1.0
  In  In14  1  0.92  0.35  0.92  1.0
  In  In15  1  0.97  0.35  0.97  1.0
  O  O16  1  0.01  0.23  0.05  1.0
  O  O17  1  0.01  0.46  0.97  1.0
  O  O18  1  0.05  0.69  0.01  1.0
  O  O19  1  0.05  0.01  0.09  1.0
  O  O20  1  0.05  0.35  0.05  1.0
  O  O21  1  0.32  0.21  0.31  1.0
  O  O22  1  0.32  0.48  0.33  1.0
  O  O23  1  0.52  0.0  0.52  1.0
  O  O24  1  0.54  0.13  0.4  1.0
  O  O25  1  0.54  0.57  0.68  1.0
  O  O26  1  0.56  0.21  0.57  1.0
  O  O27  1  0.56  0.48  0.56  1.0
  O  O28  1  0.67  0.0  0.67  1.0
  O  O29  1  0.76  0.0  0.76  1.0
  O  O30  1  0.78  0.13  0.92  1.0
  O  O31  1  0.78  0.57  0.64  1.0
  O  O32  1  0.79  0.35  0.83  1.0
  O  O33  1  0.79  0.35  0.75  1.0
  O  O34  1  0.81  0.35  0.81  1.0
  O  O35  1  0.91  0.0  0.91  1.0

Ba Ba Ba Ba Ba Ba Ba Ba In In In In In In In In O O O O O O O O O O O O O O O O O O O O
Ba Ba Ba Ba Ba Ba Ba Ba In In In In In In In In O O O O O O O O O O O O O O O O O O O O 0 18 o o o 0 1 o o o 0 27 o + o 1 18 o o o 1 2 o + o 2 5 o o o 3 6 o + o 3 14 o + o 4 7 o + o 4 14 o + o 4 19 o o o 5 25 o o o 6 28 o o o 6 29 o o o 6 34 o - o 7 28 o o o 7 14 o o o 8 12 o o o 8 21 o o - 9 20 o o o 9 30 o o o 9 34 o - o 10 23 o o o 10 11 o o o 10 34 o - o 11 22 o o o 11 34 o - o 12 21 o o - 12 24 o o - 12 35 o - - 13 24 o o o 15 32 o o o 15 31 o o o 15 33 o - o 16 26 o - o 16 20 o o o 17 27 o + o 17 30 o + o 19 32 o + + 20 30 o o o 21 24 o o o 21 25 o o o 22 34 o - o 23 31 o o o 23 34 o - o 24 35 o - o 27 30 o o o 29 34 o - o 31 33 o - o 32 33 o - o 