data_[Mn12V4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [8.6668]
_cell_length_b [10.2860]
_cell_length_c [5.4752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mn3VO6]
_chemical_formula_sum '[Mn12 V4 O24]'
_cell_volume [488.0959]
_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
[
  Mn  Mn0  8  0.2035  0.1221  0.4957  1
  Mn  Mn1  4  0.0000  0.4515  0.5466  1
  V  V2  4  0.0000  0.1681  0.9775  1
  O  O3  8  0.1518  0.4919  0.2905  1
  O  O4  8  0.1631  0.2182  0.1366  1
  O  O5  4  0.0000  0.0002  0.4374  1
  O  O6  4  0.0000  0.2361  0.6785  1
]