data_[Zn3Fe24Mo9]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7322]
_cell_length_b [4.7322]
_cell_length_c [23.2055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ZnFe8Mo3]
_chemical_formula_sum '[Zn3 Fe24 Mo9]'
_cell_volume [450.0329]
_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
[
  Zn  Zn0  3  0.0000  0.0000  0.8752  1.0
  Fe  Fe1  9  0.0011  0.5005  0.4380  1.0
  Fe  Fe2  9  0.1674  0.3348  0.2702  1.0
  Fe  Fe3  3  0.0000  0.0000  0.1870  1.0
  Fe  Fe4  3  0.0000  0.0000  0.6876  1.0
  Mo  Mo5  3  0.0000  0.0000  0.0017  1.0
  Mo  Mo6  3  0.0000  0.0000  0.3737  1.0
  Mo  Mo7  3  0.0000  0.0000  0.5002  1.0
]