data_[V3Cr1O8]
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 [P-1]
_cell_length_a [5.8082]
_cell_length_b [5.8090]
_cell_length_c [5.8234]
_cell_angle_alpha [60.2469]
_cell_angle_beta [61.0792]
_cell_angle_gamma [87.1207]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V3CrO8]
_chemical_formula_sum '[V3 Cr1 O8]'
_cell_volume [144.5763]
_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  2  0.1238  0.3689  0.2541  1
  V  V1  1  0.5000  0.5000  0.5000  1
  Cr  Cr2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.2214  0.7188  0.5338  1
  O  O4  2  0.2217  0.7174  0.0335  1
  O  O5  2  0.2455  0.2472  0.9919  1
  O  O6  2  0.2468  0.2485  0.5256  1
]