data_[Ge2S3F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.3851]
_cell_length_b [5.6781]
_cell_length_c [17.4561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ge2S3F2]
_chemical_formula_sum '[Ge2 S3 F2]'
_cell_volume [632.8774]
_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
[
  Ge  Ge0  2  0.0230  0.2257  0.4726  1
  S  S1  2  0.7563  0.1811  0.5587  1
  S  S2  1  0.2714  0.5000  0.4863  1
  F  F3  1  0.2165  0.0000  0.5332  1
  F  F4  1  0.8659  0.5000  0.4180  1
]