data_[Zr20In8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6294]
_cell_length_b [7.6294]
_cell_length_c [12.6783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Zr5In2Sn]
_chemical_formula_sum '[Zr20 In8 Sn4]'
_cell_volume [737.9742]
_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  0.1554  0.3446  0.6596  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  In  In2  8  0.1408  0.6408  0.5000  1.0
  Sn  Sn3  4  0.0000  0.0000  0.2500  1.0
]