data_[Mn1V1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [5.0377]
_cell_length_b [5.0525]
_cell_length_c [5.4254]
_cell_angle_alpha [90.9714]
_cell_angle_beta [116.5014]
_cell_angle_gamma [118.2490]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnV(FeO3)2]
_chemical_formula_sum '[Mn1 V1 Fe2 O6]'
_cell_volume [104.2050]
_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
[
  Mn  Mn0  1  0.6192  0.8160  0.4336  1
  V  V1  1  0.6390  0.3230  0.9569  1
  Fe  Fe2  1  0.0206  0.0064  0.0358  1
  Fe  Fe3  1  0.0479  0.5191  0.5689  1
  O  O4  1  0.1034  0.3946  0.2304  1
  O  O5  1  0.1857  0.2234  0.7830  1
  O  O6  1  0.5045  0.0955  0.2376  1
  O  O7  1  0.5574  0.9415  0.7502  1
  O  O8  1  0.8219  0.6130  0.7546  1
  O  O9  1  0.8235  0.7291  0.2339  1
]