data_[Fe8H8Se12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0398]
_cell_length_b [10.1847]
_cell_length_c [13.0455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Fe2H2Se3O10]
_chemical_formula_sum '[Fe8 H8 Se12 O40]'
_cell_volume [944.9010]
_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  0.0342  0.2332  0.7285  1
  Fe  Fe1  4  0.4665  0.2394  0.7710  1
  H  H2  4  0.2592  0.7441  0.0121  1
  H  H3  4  0.4367  0.6866  0.0049  1
  Se  Se4  4  0.1316  0.1764  0.5050  1
  Se  Se5  4  0.1825  0.5195  0.7006  1
  Se  Se6  4  0.3304  0.5505  0.3259  1
  O  O7  4  0.0147  0.7367  0.9406  1
  O  O8  4  0.0750  0.2171  0.8913  1
  O  O9  4  0.1188  0.6017  0.3136  1
  O  O10  4  0.1762  0.6051  0.8135  1
  O  O11  4  0.2591  0.1083  0.7629  1
  O  O12  4  0.2647  0.1358  0.2736  1
  O  O13  4  0.3349  0.6351  0.2134  1
  O  O14  4  0.3504  0.2405  0.5995  1
  O  O15  4  0.3853  0.5753  0.7028  1
  O  O16  4  0.3991  0.7478  0.5447  1
]