data_[Mn1V1Cr2O6]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0739]
_cell_length_b [5.1318]
_cell_length_c [5.4575]
_cell_angle_alpha [62.1468]
_cell_angle_beta [63.1953]
_cell_angle_gamma [61.0335]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnVCr2O6]
_chemical_formula_sum '[Mn1 V1 Cr2 O6]'
_cell_volume [105.1849]
_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  0.1911  0.1862  0.4363  1.0
  V  V1  1  0.6890  0.6827  0.9412  1.0
  Cr  Cr2  1  0.4852  0.4860  0.5474  1.0
  Cr  Cr3  1  0.9856  0.9856  0.0449  1.0
  O  O4  1  0.0838  0.7801  0.7483  1.0
  O  O5  1  0.2814  0.5940  0.2466  1.0
  O  O6  1  0.3801  0.0901  0.7480  1.0
  O  O7  1  0.6010  0.8677  0.2470  1.0
  O  O8  1  0.7592  0.3885  0.7713  1.0
  O  O9  1  0.8820  0.2774  0.2539  1.0
]