data_[Sr8Tl8Sn4]
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 [12.5194]
_cell_length_b [4.9070]
_cell_length_c [12.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl2Sn]
_chemical_formula_sum '[Sr8 Tl8 Sn4]'
_cell_volume [694.3996]
_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  0.0088  0.0000  0.3245  1.0
  Sr  Sr1  4  0.1871  0.0000  0.1085  1.0
  Tl  Tl2  4  0.0372  0.5000  0.8937  1.0
  Tl  Tl3  4  0.1491  0.5000  0.5366  1.0
  Sn  Sn4  4  0.2208  0.5000  0.3120  1.0
]