data_[Zr3Nb9Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8604]
_cell_length_b [4.8604]
_cell_length_c [23.8183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ZrNb3Fe8]
_chemical_formula_sum '[Zr3 Nb9 Fe24]'
_cell_volume [487.2843]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8755  1
  Nb  Nb1  3  0.0000  0.0000  0.0022  1
  Nb  Nb2  3  0.0000  0.0000  0.3745  1
  Nb  Nb3  3  0.0000  0.0000  0.4972  1
  Fe  Fe4  9  0.0000  0.5000  0.9383  1
  Fe  Fe5  9  0.1670  0.3339  0.7702  1
  Fe  Fe6  3  0.0000  0.0000  0.1873  1
  Fe  Fe7  3  0.0000  0.0000  0.6878  1
]