data_[Mn2V1Cr1O6]
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 [5.0931]
_cell_length_b [5.1921]
_cell_length_c [5.4388]
_cell_angle_alpha [62.0526]
_cell_angle_beta [64.0493]
_cell_angle_gamma [61.3552]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2VCrO6]
_chemical_formula_sum '[Mn2 V1 Cr1 O6]'
_cell_volume [107.2135]
_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  0.0232  0.0175  0.9433  1.0
  Mn  Mn1  1  0.5289  0.5283  0.4161  1.0
  V  V2  1  0.3211  0.3278  0.0451  1.0
  Cr  Cr3  1  0.8188  0.8145  0.5539  1.0
  O  O4  1  0.1020  0.4221  0.7683  1.0
  O  O5  1  0.1889  0.9522  0.2481  1.0
  O  O6  1  0.4392  0.6952  0.7689  1.0
  O  O7  1  0.5703  0.1933  0.2721  1.0
  O  O8  1  0.7197  0.0984  0.7609  1.0
  O  O9  1  0.9495  0.6124  0.2385  1.0
]