data_[Tl3Ag6As6O21]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.8454]
_cell_length_b [5.8454]
_cell_length_c [22.7537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [TlAg2As2O7]
_chemical_formula_sum '[Tl3 Ag6 As6 O21]'
_cell_volume [673.3076]
_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  0.5000  1.0
  Ag  Ag1  6  0.0000  0.0000  0.2418  1.0
  As  As2  6  0.0000  0.0000  0.0779  1.0
  O  O3  18  0.0341  0.4037  0.7651  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]