data_[Fe2Sn8H48C16Se20N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.9761]
_cell_length_b [9.9761]
_cell_length_c [15.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [FeSn4H24C8(Se5N)2]
_chemical_formula_sum '[Fe2 Sn8 H48 C16 Se20 N4]'
_cell_volume [1544.7686]
_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  2  0.0000  0.0000  0.5000  1
  Sn  Sn1  8  0.0773  0.3095  0.3437  1
  H  H2  8  0.0188  0.1490  0.9043  1
  H  H3  8  0.0534  0.3621  0.8470  1
  H  H4  8  0.0582  0.7029  0.7650  1
  H  H5  8  0.0614  0.1387  0.0963  1
  H  H6  8  0.0896  0.3788  0.6540  1
  H  H7  8  0.1049  0.8162  0.9862  1
  C  C8  8  0.0343  0.6170  0.8063  1
  C  C9  8  0.0611  0.8933  0.9445  1
  Se  Se10  8  0.1165  0.7789  0.2503  1
  Se  Se11  8  0.1180  0.8224  0.5715  1
  Se  Se12  4  0.0000  0.5000  0.0544  1
  N  N13  2  0.0000  0.0000  0.0000  1
  N  N14  2  0.0000  0.5000  0.7500  1
]