data_[Sn3W1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8876]
_cell_length_b [4.8876]
_cell_length_c [4.8876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Sn3WF]
_chemical_formula_sum '[Sn3 W1 F1]'
_cell_volume [116.7596]
_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
[
  Sn  Sn0  3  0.0000  0.0000  0.5000  1
  W  W1  1  0.5000  0.5000  0.5000  1
  F  F2  1  0.0000  0.0000  0.0000  1
]