data_[Pr4Tl4Se8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9011]
_cell_length_b [10.8400]
_cell_length_c [8.0190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrTl(SeO3)2]
_chemical_formula_sum '[Pr4 Tl4 Se8 O24]'
_cell_volume [727.7936]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  4  0.0000  0.4465  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1616  0.2500  1.0
  Se  Se2  8  0.2067  0.1247  0.7966  1.0
  O  O3  8  0.0908  0.3908  0.0700  1.0
  O  O4  8  0.1889  0.2795  0.7497  1.0
  O  O5  8  0.2285  0.0553  0.6135  1.0
]