data_[Sr1W1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4765]
_cell_length_b [5.7324]
_cell_length_c [6.1779]
_cell_angle_alpha [65.6320]
_cell_angle_beta [65.3401]
_cell_angle_gamma [62.4298]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrWF6]
_chemical_formula_sum '[Sr1 W1 F6]'
_cell_volume [150.3335]
_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  0.5000  0.5000  0.5000  1.0
  W  W1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1036  0.3407  0.7652  1.0
  F  F3  2  0.2339  0.9035  0.2229  1.0
  F  F4  2  0.3392  0.7767  0.7829  1.0
]