data_[K2Tl4P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Pmn2_1]
_cell_length_a [7.7478]
_cell_length_b [8.0734]
_cell_length_c [5.5889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KTl2PO4]
_chemical_formula_sum '[K2 Tl4 P2 O8]'
_cell_volume [349.5881]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.0000  0.1155  0.5048  1.0
  Tl  Tl1  4  0.2492  0.6922  0.5079  1.0
  P  P2  2  0.0000  0.8820  0.9996  1.0
  O  O3  4  0.1667  0.8147  0.1198  1.0
  O  O4  2  0.0000  0.0773  0.0135  1.0
  O  O5  2  0.0000  0.8307  0.7269  1.0
]