data_Cu3(SnO3)4
_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   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3(SnO3)4
_chemical_formula_sum   'Cu3 Sn4 O12'
_cell_volume   228.05
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.0  0.0  0.85  1.0
  Cu  Cu1  1  0.0  0.85  0.0  1.0
  Cu  Cu2  1  0.85  0.0  0.0  1.0
  Sn  Sn3  1  0.92  0.92  0.08  1.0
  Sn  Sn4  1  0.92  0.08  0.92  1.0
  Sn  Sn5  1  0.92  0.92  0.92  1.0
  Sn  Sn6  1  0.08  0.92  0.92  1.0
  O  O7  1  0.52  0.64  0.85  1.0
  O  O8  1  0.33  0.21  0.0  1.0
  O  O9  1  0.52  0.36  0.85  1.0
  O  O10  1  0.0  0.33  0.21  1.0
  O  O11  1  0.64  0.85  0.52  1.0
  O  O12  1  0.49  0.0  0.33  1.0
  O  O13  1  0.0  0.33  0.49  1.0
  O  O14  1  0.21  0.0  0.33  1.0
  O  O15  1  0.33  0.49  0.0  1.0
  O  O16  1  0.85  0.52  0.64  1.0
  O  O17  1  0.36  0.85  0.52  1.0
  O  O18  1  0.85  0.52  0.36  1.0

data_Cu3(SnO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.89
_cell_length_b   10.89
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Cu3(SnO3)4
_chemical_formula_sum   'Cu9 Sn12 O36'
_cell_volume   684.15
_cell_formula_units_Z   3
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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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
  Cu  Cu0  9  0.05  0.1  0.95  1.0
  Sn  Sn1  9  0.1  0.05  0.97  1.0
  Sn  Sn2  3  0.0  0.0  0.92  1.0
  O  O3  9  0.03  0.85  0.18  1.0
  O  O4  9  0.05  0.27  0.27  1.0
  O  O5  9  0.12  0.72  0.24  1.0
  O  O6  9  0.18  0.03  0.67  1.0

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