data_[Li4Mn3Nb3Fe2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1173]
_cell_length_b [6.2436]
_cell_length_c [9.8069]
_cell_angle_alpha [92.1694]
_cell_angle_beta [90.5090]
_cell_angle_gamma [118.8823]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn3Nb3(FeO8)2]
_chemical_formula_sum '[Li4 Mn3 Nb3 Fe2 O16]'
_cell_volume [327.5771]
_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
[
  Li  Li0  1  0.0140  0.0331  0.5140  1
  Li  Li1  1  0.3445  0.6773  0.6131  1
  Li  Li2  1  0.6770  0.3478  0.0969  1
  Li  Li3  1  0.9956  0.9964  0.9974  1
  Mn  Mn4  1  0.1737  0.3439  0.2874  1
  Mn  Mn5  1  0.3357  0.1585  0.7915  1
  Mn  Mn6  1  0.8329  0.1708  0.7899  1
  Nb  Nb7  1  0.1690  0.8347  0.2861  1
  Nb  Nb8  1  0.6637  0.8350  0.2833  1
  Nb  Nb9  1  0.8218  0.6537  0.7805  1
  Fe  Fe10  1  0.3127  0.6401  0.9950  1
  Fe  Fe11  1  0.6515  0.2928  0.5261  1
  O  O12  1  0.0477  0.5472  0.1597  1
  O  O13  1  0.1380  0.3125  0.9094  1
  O  O14  1  0.1448  0.8037  0.9017  1
  O  O15  1  0.3286  0.1476  0.4055  1
  O  O16  1  0.3548  0.7027  0.3985  1
  O  O17  1  0.4829  0.9729  0.1699  1
  O  O18  1  0.4976  0.5458  0.1574  1
  O  O19  1  0.5307  0.4861  0.6484  1
  O  O20  1  0.5427  0.0399  0.6597  1
  O  O21  1  0.6460  0.7872  0.9031  1
  O  O22  1  0.6928  0.3481  0.8943  1
  O  O23  1  0.8220  0.1516  0.4008  1
  O  O24  1  0.8508  0.6993  0.3921  1
  O  O25  1  0.9648  0.4986  0.6498  1
  O  O26  1  0.9718  0.9851  0.6976  1
  O  O27  1  0.9922  0.9877  0.1831  1
]