data_[V3Fe1O8]
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 [5.8243]
_cell_length_b [5.8484]
_cell_length_c [8.1887]
_cell_angle_alpha [89.9808]
_cell_angle_beta [89.8945]
_cell_angle_gamma [89.9321]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V3FeO8]
_chemical_formula_sum '[V3 Fe1 O8]'
_cell_volume [278.9285]
_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  0.4700  0.0035  0.3752  1.0
  V  V1  1  0.5301  0.5037  0.6269  1.0
  V  V2  1  0.9701  0.0044  0.1228  1.0
  Fe  Fe3  1  0.0296  0.5044  0.8751  1.0
  O  O4  1  0.0054  0.7902  0.9776  1.0
  O  O5  1  0.1801  0.9782  0.2723  1.0
  O  O6  1  0.3200  0.4776  0.7769  1.0
  O  O7  1  0.4953  0.2891  0.4823  1.0
  O  O8  1  0.5042  0.7687  0.5323  1.0
  O  O9  1  0.7005  0.9785  0.2133  1.0
  O  O10  1  0.8007  0.4793  0.7156  1.0
  O  O11  1  0.9940  0.2707  0.0298  1.0
]