data_[Tb1Tl3As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9990]
_cell_length_b [5.9990]
_cell_length_c [8.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TbTl3(AsO4)2]
_chemical_formula_sum '[Tb1 Tl3 As2 O8]'
_cell_volume [250.3906]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.3333  0.6667  0.2660  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  As  As3  2  0.3333  0.6667  0.7434  1.0
  O  O4  6  0.1768  0.8232  0.6678  1.0
  O  O5  2  0.3333  0.6667  0.9538  1.0
]