data_[Tl8P8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [11.2814]
_cell_length_b [12.1736]
_cell_length_c [6.0657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlPO3]
_chemical_formula_sum '[Tl8 P8 O24]'
_cell_volume [791.4437]
_cell_formula_units_Z [8]
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  4  0.0000  0.1056  0.2500  1.0
  Tl  Tl1  4  0.0000  0.4174  0.7500  1.0
  P  P2  8  0.2260  0.1938  0.8236  1.0
  O  O3  8  0.1152  0.2253  0.6207  1.0
  O  O4  8  0.1875  0.1955  0.0700  1.0
  O  O5  8  0.1964  0.4039  0.1870  1.0
]