data_[Cs10Tl12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3043]
_cell_length_b [15.6227]
_cell_length_c [8.9948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Tl6]
_chemical_formula_sum '[Cs10 Tl12]'
_cell_volume [1205.5645]
_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  4  0.0000  0.1793  0.5000  1
  Cs  Cs1  4  0.0000  0.3398  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  8  0.1704  0.1157  0.1732  1
  Tl  Tl4  4  0.1204  0.0000  0.8688  1
]