data_[Al2Tl2P2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8048]
_cell_length_b [7.0784]
_cell_length_c [7.5475]
_cell_angle_alpha [98.2960]
_cell_angle_beta [108.4832]
_cell_angle_gamma [108.5624]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2Tl2P2O9]
_chemical_formula_sum '[Al2 Tl2 P2 O9]'
_cell_volume [222.0399]
_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
[
  Al  Al0  2  0.1687  0.2379  0.9749  1
  Tl  Tl1  2  0.2076  0.8061  0.6439  1
  P  P2  2  0.3899  0.6641  0.2439  1
  O  O3  2  0.0709  0.6931  0.2155  1
  O  O4  2  0.3116  0.4274  0.1992  1
  O  O5  2  0.3691  0.2182  0.5525  1
  O  O6  2  0.4977  0.7464  0.0850  1
  O  O7  1  0.0000  0.0000  0.0000  1
]