data_[Cs4P2S2F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.9129]
_cell_length_b [6.9129]
_cell_length_c [9.0553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2PSF5]
_chemical_formula_sum '[Cs4 P2 S2 F10]'
_cell_volume [432.7369]
_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
[
  Cs  Cs0  4  0.0000  0.5000  0.2509  1.0
  P  P1  2  0.0000  0.0000  0.9960  1.0
  S  S2  2  0.0000  0.0000  0.7666  1.0
  F  F3  8  0.1733  0.1733  0.0129  1.0
  F  F4  2  0.0000  0.0000  0.1841  1.0
]