data_[Mg16Fe16Si24O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [I4_1/acd]
_cell_length_a [11.7692]
_cell_length_b [11.7692]
_cell_length_c [12.0034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [142]
_chemical_formula_structural [Mg2Fe2(SiO4)3]
_chemical_formula_sum '[Mg16 Fe16 Si24 O96]'
_cell_volume [1662.6433]
_cell_formula_units_Z [8]
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
[
  Mg  Mg0  16  0.1204  0.2500  0.8750  1
  Fe  Fe1  16  0.0000  0.2500  0.1250  1
  Si  Si2  16  0.1258  0.7500  0.8750  1
  Si  Si3  8  0.0000  0.0000  0.0000  1
  O  O4  32  0.0334  0.2074  0.2807  1
  O  O5  32  0.0606  0.0943  0.5829  1
  O  O6  32  0.1574  0.2190  0.0753  1
]