data_[Sr24Tl18]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6197]
_cell_length_b [15.6197]
_cell_length_c [7.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sr4Tl3]
_chemical_formula_sum '[Sr24 Tl18]'
_cell_volume [1528.3093]
_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
[
  Sr  Sr0  18  0.0533  0.2559  0.1702  1.0
  Sr  Sr1  3  0.0000  0.0000  0.0000  1.0
  Sr  Sr2  3  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  18  0.0471  0.2227  0.6773  1.0
]