data_[Rb3Sm3Tl6F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8325]
_cell_length_b [6.8325]
_cell_length_c [16.9282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbSmTl2F6]
_chemical_formula_sum '[Rb3 Sm3 Tl6 F18]'
_cell_volume [684.3784]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.1924  1.0
  Sm  Sm1  3  0.0000  0.0000  0.6841  1.0
  Tl  Tl2  3  0.0000  0.0000  0.4633  1.0
  Tl  Tl3  3  0.0000  0.0000  0.9648  1.0
  F  F4  9  0.0212  0.4123  0.4153  1.0
  F  F5  9  0.0908  0.6845  0.2624  1.0
]