data_[Mn3Nb9Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8197]
_cell_length_b [4.8197]
_cell_length_c [23.5583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnNb3Fe8]
_chemical_formula_sum '[Mn3 Nb9 Fe24]'
_cell_volume [473.9305]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.1260  1.0
  Nb  Nb1  3  0.0000  0.0000  0.0048  1.0
  Nb  Nb2  3  0.0000  0.0000  0.4968  1.0
  Nb  Nb3  3  0.0000  0.0000  0.6231  1.0
  Fe  Fe4  9  0.1670  0.3340  0.8960  1.0
  Fe  Fe5  9  0.1670  0.3340  0.3956  1.0
  Fe  Fe6  3  0.0000  0.0000  0.3120  1.0
  Fe  Fe7  3  0.0000  0.0000  0.8125  1.0
]