data_[V4Cr4O16]
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 [C2/m]
_cell_length_a [12.1127]
_cell_length_b [3.8053]
_cell_length_c [6.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCrO4]
_chemical_formula_sum '[V4 Cr4 O16]'
_cell_volume [286.5047]
_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  4  0.1014  0.0000  0.2247  1.0
  Cr  Cr1  4  0.2059  0.0000  0.8123  1.0
  O  O2  4  0.0495  0.0000  0.8523  1.0
  O  O3  4  0.1291  0.5000  0.1912  1.0
  O  O4  4  0.1427  0.0000  0.4952  1.0
  O  O5  4  0.2437  0.5000  0.8562  1.0
]