data_[Li12Nb2Fe10O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cm]
_cell_length_a [5.2013]
_cell_length_b [9.0362]
_cell_length_c [10.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li6NbFe5O12]
_chemical_formula_sum '[Li12 Nb2 Fe10 O24]'
_cell_volume [479.4539]
_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
[
  Li  Li0  4  0.1284  0.1714  0.7577  1
  Li  Li1  4  0.3780  0.3246  0.2471  1
  Li  Li2  2  0.1144  0.5000  0.7479  1
  Li  Li3  2  0.3825  0.0000  0.2425  1
  Nb  Nb4  2  0.4782  0.5000  0.0010  1
  Fe  Fe5  4  0.0016  0.1658  0.5010  1
  Fe  Fe6  4  0.0041  0.3345  0.9999  1
  Fe  Fe7  2  0.4998  0.0000  0.4971  1
  O  O8  4  0.1312  0.3315  0.3874  1
  O  O9  4  0.1812  0.1613  0.1143  1
  O  O10  4  0.3129  0.3431  0.8775  1
  O  O11  4  0.3696  0.1663  0.6127  1
  O  O12  2  0.1334  0.0000  0.3895  1
  O  O13  2  0.2162  0.5000  0.1256  1
  O  O14  2  0.2943  0.0000  0.8918  1
  O  O15  2  0.3669  0.5000  0.6091  1
]