data_[Fe4P4H24N8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4738]
_cell_length_b [10.1909]
_cell_length_c [9.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FePH6(NO2)2]
_chemical_formula_sum '[Fe4 P4 H24 N8 O16]'
_cell_volume [505.1953]
_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  0.3332  0.6580  0.5882  1
  P  P1  4  0.2932  0.1629  0.0422  1
  H  H2  4  0.0449  0.6756  0.2310  1
  H  H3  4  0.0611  0.6255  0.9058  1
  H  H4  4  0.0974  0.0711  0.2182  1
  H  H5  4  0.1702  0.5253  0.3067  1
  H  H6  4  0.3288  0.6326  0.9192  1
  H  H7  4  0.3535  0.5776  0.0906  1
  N  N8  4  0.0791  0.6029  0.3161  1
  N  N9  4  0.2596  0.6432  0.9886  1
  O  O10  4  0.0103  0.6808  0.5739  1
  O  O11  4  0.3579  0.1511  0.9140  1
  O  O12  4  0.3790  0.0361  0.1557  1
  O  O13  4  0.4375  0.2163  0.6623  1
]