data_[Zn12Fe4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4514]
_cell_length_b [8.4546]
_cell_length_c [5.3552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn3FeCu3]
_chemical_formula_sum '[Zn12 Fe4 Cu12]'
_cell_volume [382.6454]
_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
[
  Zn  Zn0  4  0.0000  0.2596  0.5000  1
  Zn  Zn1  4  0.2177  0.5000  0.0000  1
  Zn  Zn2  4  0.2201  0.5000  0.5000  1
  Fe  Fe3  4  0.0000  0.2730  0.0000  1
  Cu  Cu4  8  0.2500  0.2500  0.2475  1
  Cu  Cu5  4  0.0000  0.0000  0.2392  1
]