data_Yb2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2SnO4
_chemical_formula_sum   'Yb4 Sn2 O8'
_cell_volume   195.22
_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
  Yb  Yb10  1  0.45  0.45  0.76  1.0
  Yb  Yb11  1  0.76  0.45  0.45  1.0
  Yb  Yb12  1  0.45  0.76  0.45  1.0
  Yb  Yb13  1  0.76  0.76  0.76  1.0
  Sn  Sn8  1  0.0  0.0  0.0  1.0
  Sn  Sn9  1  0.3  0.3  0.3  1.0
  O  O0  1  0.76  0.76  0.06  1.0
  O  O1  1  0.45  0.45  0.45  1.0
  O  O2  1  0.45  0.75  0.75  1.0
  O  O3  1  0.75  0.45  0.75  1.0
  O  O4  1  0.76  0.06  0.76  1.0
  O  O5  1  0.06  0.06  0.06  1.0
  O  O6  1  0.06  0.76  0.76  1.0
  O  O7  1  0.75  0.75  0.45  1.0

data_Yb2SnO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   15.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Yb2SnO4
_chemical_formula_sum   'Yb12 Sn6 O24'
_cell_volume   585.66
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Yb  Yb0  9  0.1  0.2  0.45  1.0
  Yb  Yb1  3  0.0  0.0  0.24  1.0
  Sn  Sn2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.7  1.0
  O  O4  9  0.1  0.2  0.14  1.0
  O  O5  9  0.2  0.1  0.35  1.0
  O  O6  3  0.0  0.0  0.55  1.0
  O  O7  3  0.0  0.0  0.94  1.0

Yb Yb Yb Yb Sn Sn O O O O O O O O
Yb2SnO4 crystallizes in the trigonal R3m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one Sn(2), one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Yb(1)-Sn(2) bond length is 2.93 Å. The Yb(1)-O(2) bond length is 1.96 Å. Both Yb(1)-O(1) bond lengths are 2.34 Å. Both Yb(1)-O(3) bond lengths are 1.96 Å. In the second Yb site, Yb(2) is bonded in a hexagonal planar geometry to three equivalent O(1) and three equivalent O(3) atoms. All Yb(2)-O(1) bond lengths are 1.97 Å. All Yb(2)-O(3) bond lengths are 1.97 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one O(4) and three equivalent O(1) atoms. The Sn(1)-O(4) bond length is 0.90 Å. All Sn(1)-O(1) bond lengths are 2.55 Å. In the second Sn site, Sn(2) is bonded in a distorted tetrahedral geometry to three equivalent Yb(1) and one O(2) atom. The Sn(2)-O(2) bond length is 2.42 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Yb(2), two equivalent Yb(1), one Sn(1), and two equivalent O(1) atoms. Both O(1)-O(1) bond lengths are 1.96 Å. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Yb(1) and one Sn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent Yb(1) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one Sn(1) atom.