data_ZnSi2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   5.53
_cell_angle_alpha   104.98
_cell_angle_beta   104.98
_cell_angle_gamma   85.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2SnO6
_chemical_formula_sum   'Zn2 Si4 Sn2 O12'
_cell_volume   278.68
_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
  Zn  Zn0  1  0.91  0.46  0.29  1.0
  Zn  Zn1  1  0.93  0.54  0.88  1.0
  Si  Si2  1  0.62  0.89  0.07  1.0
  Si  Si3  1  0.25  0.89  0.69  1.0
  Si  Si4  1  0.6  0.11  0.49  1.0
  Si  Si5  1  0.22  0.11  0.1  1.0
  Sn  Sn6  1  0.93  0.67  0.88  1.0
  Sn  Sn7  1  0.91  0.33  0.29  1.0
  O  O8  1  0.32  0.04  0.83  1.0
  O  O9  1  0.55  0.04  0.93  1.0
  O  O10  1  0.52  0.96  0.34  1.0
  O  O11  1  0.29  0.96  0.25  1.0
  O  O12  1  0.7  0.02  0.6  1.0
  O  O13  1  0.17  0.02  0.17  1.0
  O  O14  1  0.14  0.98  0.58  1.0
  O  O15  1  0.68  0.98  0.01  1.0
  O  O16  1  0.64  0.41  0.91  1.0
  O  O17  1  0.18  0.41  0.68  1.0
  O  O18  1  0.66  0.59  0.5  1.0
  O  O19  1  0.21  0.59  0.27  1.0

data_ZnSi2SnO6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.53
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   85.52
_cell_angle_beta   75.02
_cell_angle_gamma   75.02
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnSi2SnO6
_chemical_formula_sum   'Zn2 Si4 Sn2 O12'
_cell_volume   278.68
_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
  Zn  Zn0  2  0.21  0.01  0.54  1.0
  Si  Si1  2  0.01  0.7  0.89  1.0
  Si  Si2  2  0.4  0.32  0.89  1.0
  Sn  Sn3  2  0.21  0.01  0.67  1.0
  O  O4  2  0.08  0.76  0.98  1.0
  O  O5  2  0.16  0.63  0.04  1.0
  O  O6  2  0.18  0.72  0.41  1.0
  O  O7  2  0.25  0.4  0.04  1.0
  O  O8  2  0.41  0.26  0.41  1.0
  O  O9  2  0.49  0.78  0.02  1.0

Zn Zn Si Si Si Si Sn Sn O O O O O O O O O O O O
Zn Zn Si Si Si Si Sn Sn O O O O O O O O O O O O 0 7 o o o 0 16 o o - 0 17 + o o 0 18 o o o 0 19 + o o 1 6 o o o 1 16 o o o 1 17 + o o 1 18 o o o 1 19 + o + 2 15 o o o 3 14 o o o 3 8 o + o 3 19 o o o 4 10 o - o 4 12 o o o 4 16 o o o 5 13 o o o 6 16 o o o 6 17 + o o 6 18 o o o 6 19 + o + 7 16 o o - 7 17 + o o 7 18 o o o 7 19 + o o 9 15 o - + 9 16 o o o 11 13 o + o 11 19 o o o 12 16 o o o 14 19 o o o 16 18 o o o 16 18 o o + 17 19 o o o 17 19 o o + 