data_[Sr3Tl3B6F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5022]
_cell_length_b [5.5022]
_cell_length_c [27.1254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrTlB2F8]
_chemical_formula_sum '[Sr3 Tl3 B6 F24]'
_cell_volume [711.1696]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.0000  1
  Tl  Tl1  3  -0.0000  0.0000  0.5000  1
  B  B2  6  0.0000  0.0000  0.2644  1
  F  F3  18  0.0187  0.7672  0.7159  1
  F  F4  6  0.0000  0.0000  0.2140  1
]