data_[Mg8V16O36]
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/c]
_cell_length_a [8.9624]
_cell_length_b [5.0444]
_cell_length_c [14.0453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2V4O9]
_chemical_formula_sum '[Mg8 V16 O36]'
_cell_volume [634.9029]
_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  8  0.0002  0.0043  0.3494  1
  V  V1  8  0.1620  0.4973  0.0171  1
  V  V2  8  0.1672  0.4962  0.8109  1
  O  O3  8  0.0110  0.3567  0.9218  1
  O  O4  8  0.1558  0.1533  0.7512  1
  O  O5  8  0.1761  0.2139  0.4210  1
  O  O6  8  0.1836  0.1778  0.0795  1
  O  O7  4  0.0000  0.3132  0.2500  1
]