data_[Cs10P2S8F4]
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 [Amm2]
_cell_length_a [9.0076]
_cell_length_b [12.5155]
_cell_length_c [7.8472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cs5P(S2F)2]
_chemical_formula_sum '[Cs10 P2 S8 F4]'
_cell_volume [884.6498]
_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  8  0.2627  0.1976  0.0851  1.0
  Cs  Cs1  2  0.5000  0.0000  0.6769  1.0
  P  P2  2  0.0000  0.0000  0.5843  1.0
  S  S3  4  0.0000  0.1321  0.7425  1.0
  S  S4  4  0.1866  0.0000  0.4297  1.0
  F  F5  4  0.5000  0.2113  0.8241  1.0
]