data_[Nb4Zn16Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8321]
_cell_length_b [5.2164]
_cell_length_c [6.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbZn4Fe]
_chemical_formula_sum '[Nb4 Zn16 Fe4]'
_cell_volume [365.8874]
_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
[
  Nb  Nb0  4  0.1767  0.0000  0.4074  1
  Zn  Zn1  8  0.0934  0.2501  0.7024  1
  Zn  Zn2  4  0.0000  0.2445  0.0000  1
  Zn  Zn3  4  0.2059  0.5000  0.1090  1
  Fe  Fe4  4  0.1100  0.5000  0.3856  1
]