data_[Cs18Tm12F54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.6494]
_cell_length_b [11.6494]
_cell_length_c [15.1880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Cs3Tm2F9]
_chemical_formula_sum '[Cs18 Tm12 F54]'
_cell_volume [1784.9927]
_cell_formula_units_Z [6]
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  18  0.0000  0.3383  0.7500  1
  Tm  Tm1  12  0.0000  0.0000  0.1424  1
  F  F2  36  0.0067  0.1664  0.9131  1
  F  F3  18  0.0000  0.1326  0.2500  1
]