data_[Cu18Sb6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9337]
_cell_length_b [8.9337]
_cell_length_c [9.5182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu3SbO6]
_chemical_formula_sum '[Cu18 Sb6 O36]'
_cell_volume [657.8841]
_cell_formula_units_Z [6]
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  18  0.0327  0.7457  0.7019  1.0
  Sb  Sb1  3  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0097  0.2006  0.1103  1.0
  O  O4  18  0.0177  0.1874  0.6300  1.0
]