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 [P-1]
_cell_length_a [5.1200]
_cell_length_b [5.4943]
_cell_length_c [8.8761]
_cell_angle_alpha [74.3706]
_cell_angle_beta [89.9606]
_cell_angle_gamma [62.4602]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VCrO3]
_chemical_formula_sum '[V4 Cr4 O12]'
_cell_volume [210.9551]
_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  2  0.0254  0.9465  0.1736  1.0
  V  V1  2  0.2244  0.5538  0.5744  1.0
  Cr  Cr2  2  0.2732  0.4539  0.9239  1.0
  Cr  Cr3  2  0.4755  0.0479  0.3233  1.0
  O  O4  2  0.0256  0.2542  0.9734  1.0
  O  O5  2  0.0284  0.2493  0.2758  1.0
  O  O6  2  0.0745  0.2467  0.6255  1.0
  O  O7  2  0.4309  0.7473  0.8765  1.0
  O  O8  2  0.4710  0.7547  0.5272  1.0
  O  O9  2  0.4751  0.7496  0.2230  1.0
]