data_[Mn4Nb4V4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7530]
_cell_length_b [7.2757]
_cell_length_c [9.1304]
_cell_angle_alpha [90.0336]
_cell_angle_beta [108.5866]
_cell_angle_gamma [90.0169]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnNbVO6]
_chemical_formula_sum '[Mn4 Nb4 V4 O24]'
_cell_volume [425.2037]
_cell_formula_units_Z [4]
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  0.0054  0.5018  0.0047  1
  Mn  Mn1  1  0.4904  0.7487  0.4995  1
  Mn  Mn2  1  0.5031  0.2507  0.5037  1
  Mn  Mn3  1  0.9899  0.9988  0.9996  1
  Nb  Nb4  1  0.0275  0.7509  0.6792  1
  Nb  Nb5  1  0.4625  0.4991  0.8165  1
  Nb  Nb6  1  0.5385  -0.0000  0.1830  1
  Nb  Nb7  1  0.5480  0.4998  0.1882  1
  V  V8  1  0.0387  0.2481  0.6848  1
  V  V9  1  0.4504  0.0020  0.8124  1
  V  V10  1  0.9628  0.7510  0.3168  1
  V  V11  1  0.9701  0.2494  0.3173  1
  O  O12  1  0.0543  0.2494  0.1600  1
  O  O13  1  0.0571  0.7501  0.1652  1
  O  O14  1  0.1230  0.4930  0.6892  1
  O  O15  1  0.1267  0.0064  0.6878  1
  O  O16  1  0.1786  0.7496  0.4796  1
  O  O17  1  0.1868  0.2504  0.4754  1
  O  O18  1  0.2997  0.9986  0.0122  1
  O  O19  1  0.3113  0.5017  0.0116  1
  O  O20  1  0.3662  0.2438  0.8042  1
  O  O21  1  0.3691  0.7568  0.8013  1
  O  O22  1  0.4388  0.4990  0.3477  1
  O  O23  1  0.4451  0.0013  0.3513  1
  O  O24  1  0.5455  0.0023  0.6617  1
  O  O25  1  0.5639  0.4984  0.6521  1
  O  O26  1  0.6471  0.7514  0.1915  1
  O  O27  1  0.6482  0.2486  0.2002  1
  O  O28  1  0.6723  0.0043  0.9726  1
  O  O29  1  0.6985  0.4950  0.9903  1
  O  O30  1  0.7958  0.7542  0.5044  1
  O  O31  1  0.8199  0.2457  0.5265  1
  O  O32  1  0.8881  0.4994  0.3126  1
  O  O33  1  0.8889  0.0007  0.3078  1
  O  O34  1  0.9354  0.7516  0.8489  1
  O  O35  1  0.9522  0.2479  0.8402  1
]