data_[Cs3Sr6Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3711]
_cell_length_b [5.3711]
_cell_length_c [29.5584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsSr2Tl]
_chemical_formula_sum '[Cs3 Sr6 Tl3]'
_cell_volume [738.4837]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5001  1
  Sr  Sr1  3  0.0000  0.0000  0.0460  1
  Sr  Sr2  3  0.0000  0.0000  0.2876  1
  Tl  Tl3  3  0.0000  0.0000  0.6663  1
]