data_[Al1V2Fe1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0597]
_cell_length_b [5.0702]
_cell_length_c [5.3973]
_cell_angle_alpha [91.2556]
_cell_angle_beta [117.0482]
_cell_angle_gamma [119.0962]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlV2FeO6]
_chemical_formula_sum '[Al1 V2 Fe1 O6]'
_cell_volume [102.3660]
_cell_formula_units_Z [1]
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
[
  Al  Al0  1  0.3652  0.6862  0.0468  1.0
  V  V1  1  0.9487  0.4756  0.4443  1.0
  V  V2  1  0.9682  0.9875  0.9582  1.0
  Fe  Fe3  1  0.3900  0.1917  0.5798  1.0
  O  O4  1  0.1548  0.8631  0.7599  1.0
  O  O5  1  0.1678  0.7601  0.2475  1.0
  O  O6  1  0.4522  0.5928  0.7441  1.0
  O  O7  1  0.5057  0.4199  0.2387  1.0
  O  O8  1  0.8250  0.0712  0.2346  1.0
  O  O9  1  0.8991  0.2903  0.7613  1.0
]