data_[Si2S3F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1295]
_cell_length_b [6.2312]
_cell_length_c [17.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [108.6329]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si2S3F2]
_chemical_formula_sum '[Si2 S3 F2]'
_cell_volume [634.1858]
_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
[
  Si  Si0  1  0.4743  0.0079  0.4935  1
  Si  Si1  1  0.9113  0.0087  0.4933  1
  S  S2  1  0.1480  0.8703  0.4378  1
  S  S3  1  0.6124  0.7587  0.5383  1
  S  S4  1  0.7471  0.1777  0.4167  1
  F  F5  1  0.0379  0.1810  0.5597  1
  F  F6  1  0.4589  0.1778  0.5607  1
]