data_[Mg4V12O24]
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 [Cmc2_1]
_cell_length_a [7.8956]
_cell_length_b [10.1038]
_cell_length_c [5.1384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgV3O6]
_chemical_formula_sum '[Mg4 V12 O24]'
_cell_volume [409.9209]
_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  0.1488  0.0169  1
  V  V1  8  0.2070  0.1243  0.5462  1
  V  V2  4  0.0000  0.3937  0.5945  1
  O  O3  8  0.1645  0.2679  0.8141  1
  O  O4  8  0.1687  0.4774  0.3169  1
  O  O5  4  0.0000  0.0347  0.6777  1
  O  O6  4  0.0000  0.2242  0.3713  1
]