data_[Cs4Tl4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8815]
_cell_length_b [6.1420]
_cell_length_c [10.5284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsTlO]
_chemical_formula_sum '[Cs4 Tl4 O4]'
_cell_volume [427.2420]
_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
[
  Cs  Cs0  4  0.3960  0.7343  0.3530  1.0
  Tl  Tl1  4  0.0553  0.2367  0.9432  1.0
  O  O2  4  0.2350  0.5482  0.5683  1.0
]