data_[Sr1Fe2W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.5117]
_cell_length_b [5.5431]
_cell_length_c [5.8731]
_cell_angle_alpha [61.9537]
_cell_angle_beta [62.6223]
_cell_angle_gamma [60.3234]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrFe2WO6]
_chemical_formula_sum '[Sr1 Fe2 W1 O6]'
_cell_volume [131.4219]
_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
[
  Sr  Sr0  1  0.4955  0.4945  0.5229  1.0
  Fe  Fe1  1  0.2200  0.2041  0.3633  1.0
  Fe  Fe2  1  0.7145  0.7068  0.8656  1.0
  W  W3  1  0.0188  0.0037  0.9724  1.0
  O  O4  1  0.0511  0.8456  0.7117  1.0
  O  O5  1  0.2765  0.6383  0.1502  1.0
  O  O6  1  0.3967  0.0510  0.6886  1.0
  O  O7  1  0.6547  0.9430  0.1614  1.0
  O  O8  1  0.8622  0.3863  0.7058  1.0
  O  O9  1  0.9731  0.2389  0.1606  1.0
]