data_[Mn2V2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3546]
_cell_length_b [5.4376]
_cell_length_c [5.8872]
_cell_angle_alpha [64.5133]
_cell_angle_beta [87.2040]
_cell_angle_gamma [88.0166]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnVO3]
_chemical_formula_sum '[Mn2 V2 O6]'
_cell_volume [154.5294]
_cell_formula_units_Z [2]
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  2  0.2567  0.5738  0.3302  1.0
  V  V1  2  0.2448  0.9334  0.6342  1.0
  O  O2  2  0.0028  0.2365  0.4927  1.0
  O  O3  2  0.2359  0.7684  0.9547  1.0
  O  O4  2  0.4987  0.7760  0.4798  1.0
]