data_[Zn4Fe8Re2]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4316]
_cell_length_b [4.4316]
_cell_length_c [12.6692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Zn2Fe4Re]
_chemical_formula_sum '[Zn4 Fe8 Re2]'
_cell_volume [248.8074]
_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
[
  Zn  Zn0  4  0.0000  0.0000  0.3869  1
  Fe  Fe1  4  0.0000  0.0000  0.1910  1
  Fe  Fe2  4  0.0000  0.5000  0.0000  1
  Re  Re3  2  0.0000  0.0000  0.0000  1
]