data_[Mn5Nb2O12]
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 [P-1]
_cell_length_a [5.9004]
_cell_length_b [5.9186]
_cell_length_c [8.7639]
_cell_angle_alpha [80.0538]
_cell_angle_beta [80.2451]
_cell_angle_gamma [60.7922]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn5Nb2O12]
_chemical_formula_sum '[Mn5 Nb2 O12]'
_cell_volume [261.8317]
_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  2  0.2340  0.2320  0.2645  1
  Mn  Mn1  2  0.2955  0.2929  0.7231  1
  Mn  Mn2  1  0.0000  0.0000  0.5000  1
  Nb  Nb3  2  0.2377  0.7420  0.9855  1
  O  O4  2  0.0793  0.5895  0.1705  1
  O  O5  2  0.0902  0.0744  0.1022  1
  O  O6  2  0.0916  0.6531  0.6062  1
  O  O7  2  0.3482  0.9091  0.3962  1
  O  O8  2  0.4043  0.9167  0.8219  1
  O  O9  2  0.4273  0.4164  0.8937  1
]