data_[Sr24Tl8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.1238]
_cell_length_b [17.3429]
_cell_length_c [8.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr3TlSn]
_chemical_formula_sum '[Sr24 Tl8 Sn8]'
_cell_volume [1560.5263]
_cell_formula_units_Z [8]
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  8  0.0000  0.1331  0.1271  1.0
  Sr  Sr1  8  0.2064  0.0000  0.5000  1.0
  Sr  Sr2  8  0.2500  0.2005  0.7500  1.0
  Tl  Tl3  8  0.0000  0.1753  0.4890  1.0
  Sn  Sn4  8  0.0000  0.0627  0.7820  1.0
]