data_InGaSnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.06
_cell_length_b   3.26
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   99.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaSnO5
_chemical_formula_sum   'In4 Ga4 Sn4 O20'
_cell_volume   427.77
_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
  In  In0  1  0.21  0.63  0.91  1.0
  In  In1  1  0.95  0.63  0.96  1.0
  In  In2  1  0.6  0.0  0.9  1.0
  In  In3  1  0.57  0.0  0.97  1.0
  Ga  Ga4  1  0.44  0.63  0.12  1.0
  Ga  Ga5  1  0.72  0.63  0.74  1.0
  Ga  Ga6  1  0.34  0.0  0.8  1.0
  Ga  Ga7  1  0.82  0.0  0.07  1.0
  Sn  Sn8  1  0.0  0.0  0.0  1.0
  Sn  Sn9  1  0.05  0.0  0.93  1.0
  Sn  Sn10  1  0.32  0.63  0.04  1.0
  Sn  Sn11  1  0.84  0.63  0.83  1.0
  O  O12  1  0.55  0.0  0.77  1.0
  O  O13  1  0.62  0.0  0.1  1.0
  O  O14  1  0.25  0.63  0.49  1.0
  O  O15  1  0.91  0.63  0.38  1.0
  O  O16  1  0.44  0.0  0.77  1.0
  O  O17  1  0.72  0.0  0.1  1.0
  O  O18  1  0.79  0.63  0.37  1.0
  O  O19  1  0.37  0.63  0.5  1.0
  O  O20  1  0.32  0.63  0.05  1.0
  O  O21  1  0.84  0.63  0.82  1.0
  O  O22  1  0.88  0.63  0.28  1.0
  O  O23  1  0.28  0.63  0.59  1.0
  O  O24  1  0.99  0.0  0.37  1.0
  O  O25  1  0.18  0.0  0.5  1.0
  O  O26  1  0.17  0.0  0.49  1.0
  O  O27  1  0.99  0.0  0.38  1.0
  O  O28  1  0.91  0.0  0.96  1.0
  O  O29  1  0.25  0.0  0.91  1.0
  O  O30  1  0.8  0.63  1.0  1.0
  O  O31  1  0.36  0.63  0.87  1.0

data_InGaSnO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   11.06
_cell_length_c   12.02
_cell_angle_alpha   99.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaSnO5
_chemical_formula_sum   'In4 Ga4 Sn4 O20'
_cell_volume   427.77
_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
  In  In0  1  0.0  0.4  0.1  1.0
  In  In1  1  0.0  0.43  0.03  1.0
  In  In2  1  0.37  0.05  0.04  1.0
  In  In3  1  0.37  0.79  0.09  1.0
  Ga  Ga4  1  0.0  0.18  0.93  1.0
  Ga  Ga5  1  0.0  0.66  0.2  1.0
  Ga  Ga6  1  0.37  0.28  0.26  1.0
  Ga  Ga7  1  0.37  0.56  0.88  1.0
  Sn  Sn8  1  0.0  0.0  0.0  1.0
  Sn  Sn9  1  0.0  0.95  0.07  1.0
  Sn  Sn10  1  0.37  0.16  0.17  1.0
  Sn  Sn11  1  0.37  0.68  0.96  1.0
  O  O12  1  0.0  0.01  0.62  1.0
  O  O13  1  0.0  0.01  0.63  1.0
  O  O14  1  0.0  0.09  0.04  1.0
  O  O15  1  0.0  0.28  0.9  1.0
  O  O16  1  0.0  0.38  0.9  1.0
  O  O17  1  0.0  0.45  0.23  1.0
  O  O18  1  0.0  0.56  0.23  1.0
  O  O19  1  0.0  0.75  0.09  1.0
  O  O20  1  0.0  0.82  0.5  1.0
  O  O21  1  0.0  0.83  0.51  1.0
  O  O22  1  0.37  0.09  0.62  1.0
  O  O23  1  0.37  0.12  0.72  1.0
  O  O24  1  0.37  0.16  0.18  1.0
  O  O25  1  0.37  0.2  0.0  1.0
  O  O26  1  0.37  0.21  0.63  1.0
  O  O27  1  0.37  0.63  0.5  1.0
  O  O28  1  0.37  0.64  0.13  1.0
  O  O29  1  0.37  0.68  0.95  1.0
  O  O30  1  0.37  0.72  0.41  1.0
  O  O31  1  0.37  0.75  0.51  1.0

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