data_[Sr4Fe2W2O12]
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 [5.6772]
_cell_length_b [5.6944]
_cell_length_c [9.8450]
_cell_angle_alpha [73.8599]
_cell_angle_beta [73.7441]
_cell_angle_gamma [60.4888]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2FeWO6]
_chemical_formula_sum '[Sr4 Fe2 W2 O12]'
_cell_volume [262.1385]
_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
[
  Sr  Sr0  1  0.1241  0.1296  0.6284  1.0
  Sr  Sr1  1  0.3769  0.3690  0.8827  1.0
  Sr  Sr2  1  0.6205  0.6244  0.1223  1.0
  Sr  Sr3  1  0.8784  0.8739  0.3661  1.0
  Fe  Fe4  1  0.2510  0.2486  0.2488  1.0
  Fe  Fe5  1  0.7483  0.7490  0.7533  1.0
  W  W6  1  0.0006  0.9966  0.9984  1.0
  W  W7  1  0.4987  0.5024  0.5024  1.0
  O  O8  1  0.0539  0.1486  0.1328  1.0
  O  O9  1  0.1118  0.6124  0.6016  1.0
  O  O10  1  0.1306  0.6280  0.1261  1.0
  O  O11  1  0.3716  0.8578  0.3783  1.0
  O  O12  1  0.4009  0.8948  0.8914  1.0
  O  O13  1  0.4446  0.3459  0.3708  1.0
  O  O14  1  0.5580  0.6598  0.6381  1.0
  O  O15  1  0.6164  0.0853  0.0995  1.0
  O  O16  1  0.6186  0.1464  0.6313  1.0
  O  O17  1  0.8731  0.4045  0.4073  1.0
  O  O18  1  0.8748  0.3736  0.8655  1.0
  O  O19  1  0.9474  0.8494  0.8548  1.0
]