data_[Mg4V8O20]
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 [Cmcm]
_cell_length_a [3.7248]
_cell_length_b [10.1953]
_cell_length_c [11.2105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MgV2O5]
_chemical_formula_sum '[Mg4 V8 O20]'
_cell_volume [425.7233]
_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  0.0000  0.1086  0.7500  1.0
  V  V1  8  0.0000  0.2010  0.0979  1.0
  O  O2  8  0.0000  0.0411  0.1279  1.0
  O  O3  8  0.0000  0.2356  0.5774  1.0
  O  O4  4  0.0000  0.3040  0.2500  1.0
]