data_ReSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   47.6
_cell_angle_beta   47.6
_cell_angle_gamma   47.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnO3
_chemical_formula_sum   'Re2 Sn2 O6'
_cell_volume   148.4
_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
  Re  Re6  1  0.0  0.0  0.95  1.0
  Re  Re7  1  0.0  0.0  0.76  1.0
  Sn  Sn8  1  0.0  0.0  0.0  1.0
  Sn  Sn9  1  0.0  0.0  0.71  1.0
  O  O0  1  0.03  0.34  0.93  1.0
  O  O1  1  0.92  0.99  0.93  1.0
  O  O2  1  0.05  0.67  0.93  1.0
  O  O3  1  0.95  0.33  0.79  1.0
  O  O4  1  0.08  0.01  0.79  1.0
  O  O5  1  0.97  0.66  0.79  1.0

data_ReSnO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.67
_cell_angle_alpha   66.2
_cell_angle_beta   66.2
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReSnO3
_chemical_formula_sum   'Re2 Sn2 O6'
_cell_volume   148.4
_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
  Re  Re0  2  0.0  0.09  0.41  1.0
  Sn  Sn1  2  0.0  0.14  0.36  1.0
  O  O2  2  0.01  0.93  0.48  1.0
  O  O3  2  0.33  0.93  0.29  1.0
  O  O4  2  0.34  0.07  0.06  1.0

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