data_[Sr8Tl4Sn8]
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 [C2/m]
_cell_length_a [12.5090]
_cell_length_b [5.0377]
_cell_length_c [11.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2TlSn2]
_chemical_formula_sum '[Sr8 Tl4 Sn8]'
_cell_volume [668.7816]
_cell_formula_units_Z [4]
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  4  0.0039  0.5000  0.6770  1
  Sr  Sr1  4  0.1811  0.5000  0.1070  1
  Tl  Tl2  4  0.1993  0.0000  0.3445  1
  Sn  Sn3  4  0.0425  0.0000  0.8993  1
  Sn  Sn4  4  0.1395  0.0000  0.5742  1
]