data_[Tl3Ag36O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6234]
_cell_length_b [11.6234]
_cell_length_c [8.1698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TlAg12O7]
_chemical_formula_sum '[Tl3 Ag36 O21]'
_cell_volume [955.8858]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  18  0.0011  0.4188  0.3434  1.0
  Ag  Ag2  18  0.0439  0.1953  0.3611  1.0
  O  O3  18  0.0009  0.8318  0.1544  1.0
  O  O4  3  0.0000  0.0000  0.5000  1.0
]