data_YSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSnO3
_chemical_formula_sum   'Y2 Sn2 O6'
_cell_volume   151.63
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.36  1.0
  Sn  Sn2  1  0.0  0.14  0.18  1.0
  Sn  Sn3  1  0.86  0.07  0.54  1.0
  O  O4  1  0.86  0.07  0.73  1.0
  O  O5  1  0.0  0.14  0.38  1.0
  O  O6  1  0.0  0.14  0.98  1.0
  O  O7  1  0.86  0.07  0.34  1.0
  O  O8  1  0.0  0.0  0.54  1.0
  O  O9  1  0.0  0.0  0.18  1.0

data_YSnO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSnO3
_chemical_formula_sum   'Y2 Sn2 O6'
_cell_volume   151.63
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.36  1.0
  Sn  Sn2  1  -0.0  0.14  0.18  1.0
  Sn  Sn3  1  0.86  0.07  0.54  1.0
  O  O4  1  -0.0  0.14  0.38  1.0
  O  O5  1  -0.0  0.14  0.98  1.0
  O  O6  1  0.0  0.0  0.18  1.0
  O  O7  1  0.0  0.0  0.54  1.0
  O  O8  1  0.86  0.07  0.34  1.0
  O  O9  1  0.86  0.07  0.73  1.0

Y Y Sn Sn O O O O O O
Y Y Sn Sn O O O O O O 0 6 o o - 1 5 o o o 1 7 - o o 2 9 o o o 3 8 + o o 3 4 o o o 4 8 + o o 5 7 - o o 