data_[V4Cr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1093]
_cell_length_b [5.5097]
_cell_length_c [8.8598]
_cell_angle_alpha [74.4080]
_cell_angle_beta [89.8600]
_cell_angle_gamma [62.4157]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VCrO3]
_chemical_formula_sum '[V4 Cr4 O12]'
_cell_volume [210.7372]
_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
[
  V  V0  1  0.2770  0.4482  0.4280  1.0
  V  V1  1  0.7232  0.5542  0.5751  1.0
  V  V2  1  0.7752  0.4468  0.9234  1.0
  V  V3  1  0.9745  0.0532  0.3238  1.0
  Cr  Cr4  1  0.0245  0.9535  0.6752  1.0
  Cr  Cr5  1  0.2252  0.5492  0.0744  1.0
  Cr  Cr6  1  0.4779  0.0443  0.8271  1.0
  Cr  Cr7  1  0.5228  0.9526  0.1736  1.0
  O  O8  1  0.1809  0.2471  0.6271  1.0
  O  O9  1  0.2226  0.2515  0.2750  1.0
  O  O10  1  0.2255  0.2478  0.9739  1.0
  O  O11  1  0.2767  0.7482  0.2240  1.0
  O  O12  1  0.2773  0.7525  0.5279  1.0
  O  O13  1  0.3208  0.7507  0.8744  1.0
  O  O14  1  0.6737  0.2516  0.1231  1.0
  O  O15  1  0.7237  0.2465  0.7768  1.0
  O  O16  1  0.7249  0.2482  0.4738  1.0
  O  O17  1  0.7756  0.7490  0.0268  1.0
  O  O18  1  0.7771  0.7523  0.7228  1.0
  O  O19  1  0.8209  0.7526  0.3738  1.0
]