data_[Ca4Tl4Se8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [7.8416]
_cell_length_b [11.2296]
_cell_length_c [8.1653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaTl(SeO3)2]
_chemical_formula_sum '[Ca4 Tl4 Se8 O24]'
_cell_volume [717.0790]
_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
[
  Ca  Ca0  4  0.0000  0.3718  0.7500  1.0
  Tl  Tl1  4  0.0000  0.2106  0.2500  1.0
  Se  Se2  8  0.2094  0.1012  0.8831  1.0
  O  O3  8  0.0858  0.3634  0.0366  1.0
  O  O4  8  0.1915  0.2069  0.7287  1.0
  O  O5  8  0.2379  0.0300  0.2811  1.0
]