data_[V5Fe1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.8791]
_cell_length_b [6.7898]
_cell_length_c [6.9117]
_cell_angle_alpha [84.2863]
_cell_angle_beta [75.5870]
_cell_angle_gamma [75.0688]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V5FeO12]
_chemical_formula_sum '[V5 Fe1 O12]'
_cell_volume [258.0120]
_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
[
  V  V0  1  0.2480  0.2083  0.3846  1.0
  V  V1  1  0.2484  0.6129  0.7936  1.0
  V  V2  1  0.7399  0.3897  0.2078  1.0
  V  V3  1  0.7524  0.7998  0.6064  1.0
  V  V4  1  0.7541  0.9157  0.0840  1.0
  Fe  Fe5  1  0.2623  0.0839  0.9111  1.0
  O  O6  1  0.0563  0.6394  0.6299  1.0
  O  O7  1  0.1276  0.8182  0.9572  1.0
  O  O8  1  0.2429  0.0897  0.6088  1.0
  O  O9  1  0.2591  0.3824  0.9195  1.0
  O  O10  1  0.3747  0.0376  0.1960  1.0
  O  O11  1  0.4456  0.3791  0.3508  1.0
  O  O12  1  0.5409  0.6281  0.6609  1.0
  O  O13  1  0.6516  0.9542  0.8239  1.0
  O  O14  1  0.7233  0.6253  0.0969  1.0
  O  O15  1  0.7912  0.8980  0.3595  1.0
  O  O16  1  0.8369  0.1961  0.0405  1.0
  O  O17  1  0.9448  0.3415  0.3687  1.0
]