data_[Mg1Fe4H4O8]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1922]
_cell_length_b [7.7746]
_cell_length_c [8.4039]
_cell_angle_alpha [102.1475]
_cell_angle_beta [92.8361]
_cell_angle_gamma [98.4238]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgFe4(HO2)4]
_chemical_formula_sum '[Mg1 Fe4 H4 O8]'
_cell_volume [200.9995]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Fe  Fe1  2  0.0323  0.4750  0.3126  1
  Fe  Fe2  2  0.3258  0.1998  0.5450  1
  H  H3  2  0.0645  0.7822  0.9712  1
  H  H4  2  0.2000  0.9443  0.2557  1
  O  O5  2  0.0441  0.6540  0.9415  1
  O  O6  2  0.1540  0.7008  0.5513  1
  O  O7  2  0.2145  0.9511  0.3724  1
  O  O8  2  0.4332  0.3821  0.7451  1
]