data_[Zr20Zn4Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9935]
_cell_length_b [7.1164]
_cell_length_c [10.4209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5ZnFe]
_chemical_formula_sum '[Zr20 Zn4 Fe4]'
_cell_volume [571.0760]
_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  8  0.1291  0.3465  0.0580  1
  Zr  Zr1  8  0.2409  0.3239  0.3732  1
  Zr  Zr2  4  0.0000  0.0050  0.2500  1
  Zn  Zn3  4  0.0000  0.3916  0.7500  1
  Fe  Fe4  4  0.0000  0.0000  0.0000  1
]