data_[Mg4V8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9374]
_cell_length_b [3.0318]
_cell_length_c [9.1522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgV2O4]
_chemical_formula_sum '[Mg4 V8 O16]'
_cell_volume [315.1554]
_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  0.1772  0.5000  0.1859  1
  V  V1  4  0.1352  0.5000  0.8271  1
  V  V2  4  0.1355  0.0000  0.4624  1
  O  O3  4  0.0370  0.5000  0.2966  1
  O  O4  4  0.1306  0.0000  0.6828  1
  O  O5  4  0.1705  0.0000  0.0195  1
  O  O6  4  0.2311  0.0000  0.3686  1
]