data_[Cu12Te9Pb3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.1848]
_cell_length_b [11.1848]
_cell_length_c [7.7121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Cu4Te3PbO12]
_chemical_formula_sum '[Cu12 Te9 Pb3 O36]'
_cell_volume [835.5306]
_cell_formula_units_Z [3]
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  9  0.0000  0.3825  0.5000  1.0
  Cu  Cu1  3  0.0000  0.0000  0.5000  1.0
  Te  Te2  9  0.0000  0.5709  0.0000  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
  O  O4  18  0.0668  0.2139  0.2083  1.0
  O  O5  9  0.0000  0.5979  0.5000  1.0
  O  O6  9  0.0000  0.8271  0.5000  1.0
]