data_[Zr8Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.0708]
_cell_length_b [11.0708]
_cell_length_c [3.2667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [ZrSn]
_chemical_formula_sum '[Zr8 Sn8]'
_cell_volume [400.3803]
_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
[
  Zr  Zr0  8  0.1072  0.6444  0.0000  1
  Sn  Sn1  8  0.0905  0.1708  0.0000  1
]