data_[Li4Nb1Fe1W2O12]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1707]
_cell_length_b [5.4864]
_cell_length_c [7.5666]
_cell_angle_alpha [94.6353]
_cell_angle_beta [90.0913]
_cell_angle_gamma [90.0641]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4NbFe(WO6)2]
_chemical_formula_sum '[Li4 Nb1 Fe1 W2 O12]'
_cell_volume [213.9496]
_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  0.4984  0.9368  0.8074  1.0
  Li  Li1  1  0.5050  0.9486  0.2631  1.0
  Li  Li2  1  0.9950  0.4134  0.8080  1.0
  Li  Li3  1  0.9997  0.4122  0.2694  1.0
  Nb  Nb4  1  0.5006  0.4828  0.5120  1.0
  Fe  Fe5  1  0.9999  0.9918  0.0012  1.0
  W  W6  1  0.5053  0.5030  0.0089  1.0
  W  W7  1  0.9961  0.9838  0.4984  1.0
  O  O8  1  0.1205  0.0191  0.7331  1.0
  O  O9  1  0.1842  0.6993  0.4276  1.0
  O  O10  1  0.1957  0.3262  0.0476  1.0
  O  O11  1  0.3069  0.1960  0.4283  1.0
  O  O12  1  0.3229  0.8160  0.0458  1.0
  O  O13  1  0.3719  0.5133  0.7466  1.0
  O  O14  1  0.6236  0.5216  0.2471  1.0
  O  O15  1  0.6831  0.8292  0.5539  1.0
  O  O16  1  0.6940  0.2146  0.9322  1.0
  O  O17  1  0.7936  0.6978  0.9282  1.0
  O  O18  1  0.8204  0.3229  0.5550  1.0
  O  O19  1  0.8831  0.0293  0.2573  1.0
]