data_SrCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu3(SnO3)4
_chemical_formula_sum   'Sr1 Cu3 Sn4 O12'
_cell_volume   229.65
_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
  Sr  Sr19  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.86  1.0
  Cu  Cu1  1  0.0  0.86  0.0  1.0
  Cu  Cu2  1  0.86  0.0  0.0  1.0
  Sn  Sn15  1  0.93  0.93  0.07  1.0
  Sn  Sn16  1  0.93  0.93  0.93  1.0
  Sn  Sn17  1  0.07  0.93  0.93  1.0
  Sn  Sn18  1  0.93  0.07  0.93  1.0
  O  O3  1  0.47  0.54  0.86  1.0
  O  O4  1  0.54  0.86  0.47  1.0
  O  O5  1  0.54  0.86  0.53  1.0
  O  O6  1  0.86  0.53  0.54  1.0
  O  O7  1  0.0  0.39  0.32  1.0
  O  O8  1  0.32  0.32  0.0  1.0
  O  O9  1  0.53  0.54  0.86  1.0
  O  O10  1  0.86  0.47  0.54  1.0
  O  O11  1  0.0  0.32  0.32  1.0
  O  O12  1  0.32  0.0  0.32  1.0
  O  O13  1  0.32  0.0  0.39  1.0
  O  O14  1  0.39  0.32  0.0  1.0

data_SrCu3(SnO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.91
_cell_length_b   10.91
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   SrCu3(SnO3)4
_chemical_formula_sum   'Sr3 Cu9 Sn12 O36'
_cell_volume   688.94
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.05  0.09  0.95  1.0
  Sn  Sn2  9  0.09  0.05  0.98  1.0
  Sn  Sn3  3  0.0  0.0  0.93  1.0
  O  O4  9  0.08  0.85  0.24  1.0
  O  O5  9  0.11  0.89  0.21  1.0
  O  O6  9  0.18  0.43  0.29  1.0
  O  O7  9  0.21  0.11  0.64  1.0

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