data_YCu3(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu3(SbO3)4
_chemical_formula_sum   'Y1 Cu3 Sb4 O12'
_cell_volume   249.01
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.96  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.96  1.0
  Cu  Cu3  1  0.0  0.96  0.0  1.0
  Sb  Sb4  1  0.02  0.98  0.98  1.0
  Sb  Sb5  1  0.98  0.98  0.98  1.0
  Sb  Sb6  1  0.98  0.02  0.98  1.0
  Sb  Sb7  1  0.98  0.98  0.02  1.0
  O  O8  1  0.64  0.36  0.96  1.0
  O  O9  1  0.33  0.6  0.0  1.0
  O  O10  1  0.64  0.64  0.96  1.0
  O  O11  1  0.0  0.33  0.6  1.0
  O  O12  1  0.36  0.96  0.64  1.0
  O  O13  1  0.33  0.0  0.33  1.0
  O  O14  1  0.0  0.33  0.33  1.0
  O  O15  1  0.6  0.0  0.33  1.0
  O  O16  1  0.33  0.33  0.0  1.0
  O  O17  1  0.96  0.64  0.36  1.0
  O  O18  1  0.64  0.96  0.64  1.0
  O  O19  1  0.96  0.64  0.64  1.0

data_YCu3(SbO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.21
_cell_length_b   11.21
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   YCu3(SbO3)4
_chemical_formula_sum   'Y3 Cu9 Sb12 O36'
_cell_volume   747.03
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.01  0.02  0.99  1.0
  Sb  Sb2  9  0.02  0.01  0.99  1.0
  Sb  Sb3  3  0.0  0.0  0.98  1.0
  O  O4  9  0.02  0.31  0.31  1.0
  O  O5  9  0.04  0.69  0.32  1.0
  O  O6  9  0.11  0.89  0.22  1.0
  O  O7  9  0.22  0.11  0.74  1.0

Y Cu Cu Cu Sb Sb Sb Sb O O O O O O O O O O O O
Y Cu Cu Cu Sb Sb Sb Sb 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 6 - o o 2 4 o - o 3 5 - o - 3 7 - o o 3 4 o o - 4 5 - o o 5 6 o + o 5 7 o o + 8 16 o o + 8 10 o o o 9 16 o o o 9 10 o o - 11 19 - o o 11 14 o o o 12 13 o + o 12 18 o o o 13 15 o o o 14 17 - o o 15 18 o - o 17 19 o o o 