data_[Cs3Ho3Tl6F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.0581]
_cell_length_b [7.0581]
_cell_length_c [16.1974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsHoTl2F6]
_chemical_formula_sum '[Cs3 Ho3 Tl6 F18]'
_cell_volume [698.8016]
_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  0.5000  1
  Ho  Ho1  3  -0.0000  0.0000  0.0000  1
  Tl  Tl2  6  0.0000  0.0000  0.2264  1
  F  F3  18  0.0080  0.7578  0.0820  1
]