data_[V4Cr2O12]
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 [5.5278]
_cell_length_b [6.7681]
_cell_length_c [7.1048]
_cell_angle_alpha [83.5916]
_cell_angle_beta [78.1442]
_cell_angle_gamma [71.5779]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V2CrO6]
_chemical_formula_sum '[V4 Cr2 O12]'
_cell_volume [246.4967]
_cell_formula_units_Z [2]
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  0.1856  0.8369  0.6082  1.0
  V  V1  2  0.2549  0.3877  0.2117  1.0
  Cr  Cr2  2  0.2540  0.9181  0.0828  1.0
  O  O3  2  0.0555  0.6094  0.6647  1.0
  O  O4  2  0.1319  0.9648  0.8326  1.0
  O  O5  2  0.2188  0.9571  0.3720  1.0
  O  O6  2  0.2356  0.6305  0.1071  1.0
  O  O7  2  0.3606  0.1906  0.0373  1.0
  O  O8  2  0.4687  0.3244  0.3721  1.0
]