data_[Cs2Ca2Tl2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4633]
_cell_length_b [3.7693]
_cell_length_c [9.2391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaTlO3]
_chemical_formula_sum '[Cs2 Ca2 Tl2 O6]'
_cell_volume [218.9855]
_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
[
  Cs  Cs0  2  0.3549  0.2500  0.3175  1.0
  Ca  Ca1  2  0.2444  0.7500  0.9684  1.0
  Tl  Tl2  2  0.1272  0.2500  0.6655  1.0
  O  O3  2  0.0229  0.7500  0.1417  1.0
  O  O4  2  0.1808  0.7500  0.5415  1.0
  O  O5  2  0.4183  0.2500  0.8602  1.0
]