data_[Mg1V2Fe2H4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  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 [P1]
_cell_length_a [5.5959]
_cell_length_b [5.9500]
_cell_length_c [6.7174]
_cell_angle_alpha [103.0424]
_cell_angle_beta [93.1372]
_cell_angle_gamma [109.7171]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV2Fe2(H2O5)2]
_chemical_formula_sum '[Mg1 V2 Fe2 H4 O10]'
_cell_volume [203.0189]
_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  0.1813  0.1783  0.0545  1
  V  V1  1  0.2407  0.6174  0.7297  1
  V  V2  1  0.7525  0.3913  0.2383  1
  Fe  Fe3  1  0.4033  0.7879  0.2856  1
  Fe  Fe4  1  0.6094  0.2285  0.6970  1
  H  H5  1  0.0553  0.1221  0.6967  1
  H  H6  1  0.1714  0.1211  0.4057  1
  H  H7  1  0.8874  0.8537  0.7364  1
  H  H8  1  0.9314  0.8630  0.2859  1
  O  O9  1  0.0972  0.4575  0.2154  1
  O  O10  1  0.1157  0.9843  0.2720  1
  O  O11  1  0.2761  0.3306  0.6295  1
  O  O12  1  0.3663  0.8384  0.5884  1
  O  O13  1  0.3875  0.7438  0.9827  1
  O  O14  1  0.5378  0.2614  0.9950  1
  O  O15  1  0.6388  0.1499  0.3778  1
  O  O16  1  0.6967  0.6808  0.3170  1
  O  O17  1  0.9173  0.5666  0.7247  1
  O  O18  1  0.9340  0.0376  0.7878  1
]