data_[Mn4Nb4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2616]
_cell_length_b [3.9082]
_cell_length_c [7.0354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnNbO4]
_chemical_formula_sum '[Mn4 Nb4 O16]'
_cell_volume [323.0774]
_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  4  0.2005  0.0000  0.3079  1.0
  Nb  Nb1  4  0.1049  0.0000  0.7329  1.0
  O  O2  4  0.0575  0.0000  0.3696  1.0
  O  O3  4  0.1311  0.0000  0.9968  1.0
  O  O4  4  0.1407  0.5000  0.7031  1.0
  O  O5  4  0.2354  0.5000  0.3386  1.0
]