data_[La6Fe2W2S6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.4520]
_cell_length_b [9.4520]
_cell_length_c [5.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [La3FeW(SO2)3]
_chemical_formula_sum '[La6 Fe2 W2 S6 O12]'
_cell_volume [426.6112]
_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
[
  La  La0  6  0.0897  0.6818  0.7500  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  W  W2  2  0.3333  0.6667  0.2500  1
  S  S3  6  0.0468  0.8154  0.2500  1
  O  O4  12  0.1617  0.5269  0.0229  1
]