data_[Zr20Tl8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6506]
_cell_length_b [7.6506]
_cell_length_c [12.8018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Zr5Tl2Sn]
_chemical_formula_sum '[Zr20 Tl8 Sn4]'
_cell_volume [749.3134]
_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
[
  Zr  Zr0  16  0.1544  0.3456  0.6607  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.1439  0.6439  0.5000  1.0
  Sn  Sn3  4  0.0000  0.0000  0.2500  1.0
]