data_CaCu3(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu3(SbO3)4
_chemical_formula_sum   'Ca1 Cu3 Sb4 O12'
_cell_volume   241.12
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.92  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.92  1.0
  Cu  Cu3  1  0.92  0.0  0.0  1.0
  Sb  Sb4  1  0.96  0.04  0.96  1.0
  Sb  Sb5  1  0.04  0.96  0.96  1.0
  Sb  Sb6  1  0.96  0.96  0.96  1.0
  Sb  Sb7  1  0.96  0.96  0.04  1.0
  O  O8  1  0.55  0.92  0.44  1.0
  O  O9  1  0.37  0.0  0.48  1.0
  O  O10  1  0.55  0.92  0.56  1.0
  O  O11  1  0.0  0.36  0.37  1.0
  O  O12  1  0.36  0.37  0.0  1.0
  O  O13  1  0.44  0.55  0.92  1.0
  O  O14  1  0.0  0.48  0.37  1.0
  O  O15  1  0.56  0.55  0.92  1.0
  O  O16  1  0.37  0.0  0.36  1.0
  O  O17  1  0.92  0.56  0.55  1.0
  O  O18  1  0.48  0.37  0.0  1.0
  O  O19  1  0.92  0.44  0.55  1.0

data_CaCu3(SbO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.09
_cell_length_b   11.09
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CaCu3(SbO3)4
_chemical_formula_sum   'Ca3 Cu9 Sb12 O36'
_cell_volume   723.37
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.03  0.05  0.97  1.0
  Sb  Sb2  9  0.05  0.03  0.99  1.0
  Sb  Sb3  3  0.0  0.0  0.96  1.0
  O  O4  9  0.05  0.58  0.95  1.0
  O  O5  9  0.09  0.54  0.91  1.0
  O  O6  9  0.14  0.38  0.3  1.0
  O  O7  9  0.21  0.78  0.34  1.0

Ca Cu Cu Cu Sb Sb Sb Sb O O O O O O O O O O O O