data_[Mg4V4Fe4O16]
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 [P4_122]
_cell_length_a [5.9850]
_cell_length_b [5.9850]
_cell_length_c [8.4052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [MgVFeO4]
_chemical_formula_sum '[Mg4 V4 Fe4 O16]'
_cell_volume [301.0722]
_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
[
  Mg  Mg0  4  0.2522  0.5000  0.7500  1
  V  V1  4  0.2511  0.2511  0.3750  1
  Fe  Fe2  4  0.0000  0.2545  0.0000  1
  O  O3  8  0.0170  0.2452  0.7597  1
  O  O4  8  0.2447  0.4816  0.9955  1
]