data_[V1Fe2As1O6]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0995]
_cell_length_b [5.1429]
_cell_length_c [5.7806]
_cell_angle_alpha [63.7311]
_cell_angle_beta [89.4132]
_cell_angle_gamma [60.4281]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VFe2AsO6]
_chemical_formula_sum '[V1 Fe2 As1 O6]'
_cell_volume [113.9467]
_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  0.8047  0.3875  0.4322  1
  Fe  Fe1  1  0.0141  0.9708  0.0450  1
  Fe  Fe2  1  0.5146  0.9717  0.5342  1
  As  As3  1  0.2967  0.4086  0.8903  1
  O  O4  1  0.0629  0.4924  0.2817  1
  O  O5  1  0.2116  0.8547  0.7413  1
  O  O6  1  0.4437  0.7824  0.2804  1
  O  O7  1  0.6047  0.1956  0.7447  1
  O  O8  1  0.7671  0.1602  0.2911  1
  O  O9  1  0.9415  0.4530  0.7440  1
]