data_[Li4Fe1W3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.1876]
_cell_length_b [5.4853]
_cell_length_c [7.5293]
_cell_angle_alpha [94.2286]
_cell_angle_beta [90.2548]
_cell_angle_gamma [90.1124]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Fe(WO4)3]
_chemical_formula_sum '[Li4 Fe1 W3 O12]'
_cell_volume [213.6668]
_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  0.0033  0.5075  0.2567  1.0
  Li  Li1  1  0.4942  0.0848  0.6977  1.0
  Li  Li2  1  0.4991  0.0814  0.2291  1.0
  Li  Li3  1  0.9984  0.5535  0.6989  1.0
  Fe  Fe4  1  0.5016  0.5082  0.4996  1.0
  W  W5  1  0.0041  0.9990  0.4950  1.0
  W  W6  1  0.4983  0.5045  0.9999  1.0
  W  W7  1  0.9969  0.9992  0.9953  1.0
  O  O8  1  0.1172  0.9912  0.2474  1.0
  O  O9  1  0.1876  0.6771  0.9399  1.0
  O  O10  1  0.1948  0.2896  0.5635  1.0
  O  O11  1  0.2972  0.8078  0.5639  1.0
  O  O12  1  0.3190  0.1846  0.9427  1.0
  O  O13  1  0.3821  0.4820  0.2440  1.0
  O  O14  1  0.6192  0.4876  0.7613  1.0
  O  O15  1  0.6823  0.8063  0.0682  1.0
  O  O16  1  0.6994  0.1814  0.4493  1.0
  O  O17  1  0.8040  0.3098  0.0698  1.0
  O  O18  1  0.8220  0.6906  0.4530  1.0
  O  O19  1  0.8794  0.9962  0.7534  1.0
]