data_[Mg1V2Fe2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1954]
_cell_length_b [6.4157]
_cell_length_c [5.3800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgV2(FeO4)2]
_chemical_formula_sum '[Mg1 V2 Fe2 O8]'
_cell_volume [165.5686]
_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  0.5700  0.5000  0.1561  1.0
  V  V1  1  0.3352  0.5000  0.6258  1.0
  V  V2  1  0.6504  0.0000  0.3580  1.0
  Fe  Fe3  2  0.9925  0.2374  0.9899  1.0
  O  O4  2  0.2387  0.2950  0.7709  1.0
  O  O5  2  0.7648  0.2266  0.2456  1.0
  O  O6  1  0.2412  0.5000  0.2631  1.0
  O  O7  1  0.2887  0.0000  0.2250  1.0
  O  O8  1  0.7039  0.5000  0.8102  1.0
  O  O9  1  0.7811  0.0000  0.7106  1.0
]