data_[Fe16Si2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4844]
_cell_length_b [6.0030]
_cell_length_c [9.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe8SiO12]
_chemical_formula_sum '[Fe16 Si2 O24]'
_cell_volume [464.4507]
_cell_formula_units_Z [2]
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  0.4952  0.5131  0.3367  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  2  0.1353  0.7500  0.6756  1
  Fe  Fe3  2  0.2169  0.2500  0.4991  1
  Fe  Fe4  2  0.2464  0.2500  0.8344  1
  Fe  Fe5  2  0.2476  0.2500  0.1654  1
  Fe  Fe6  2  0.3814  0.7500  0.9910  1
  Si  Si7  2  0.1312  0.7500  0.3282  1
  O  O8  4  0.2448  0.5234  0.3313  1
  O  O9  4  0.2488  0.0106  0.9888  1
  O  O10  4  0.2600  0.0141  0.6728  1
  O  O11  2  0.0037  0.2500  0.1624  1
  O  O12  2  0.0072  0.7500  0.1859  1
  O  O13  2  0.0281  0.7500  0.4831  1
  O  O14  2  0.4707  0.2500  0.4920  1
  O  O15  2  0.4906  0.2500  0.1824  1
  O  O16  2  0.4922  0.2500  0.8287  1
]