data_[Fe4Mo12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.0380]
_cell_length_b [10.6435]
_cell_length_c [4.9908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Fe(MoO2)3]
_chemical_formula_sum '[Fe4 Mo12 O24]'
_cell_volume [426.9712]
_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
[
  Fe  Fe0  4  0.0000  0.2894  0.5661  1
  Mo  Mo1  8  0.1510  0.3717  0.0069  1
  Mo  Mo2  4  0.0000  0.0742  0.9813  1
  O  O3  8  0.1623  0.0415  0.2921  1
  O  O4  8  0.1793  0.2026  0.7918  1
  O  O5  4  0.0000  0.2462  0.1968  1
  O  O6  4  0.0000  0.4685  0.7180  1
]