data_[Zr10Zn8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.8439]
_cell_length_b [10.8439]
_cell_length_c [3.8370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Zr5(ZnSi)4]
_chemical_formula_sum '[Zr10 Zn8 Si8]'
_cell_volume [451.1945]
_cell_formula_units_Z [2]
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  0.1294  0.7988  0.5000  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.0856  0.3952  0.5000  1.0
  Si  Si3  8  0.0595  0.2435  0.0000  1.0
]