data_[Cs2As2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7684]
_cell_length_b [4.8724]
_cell_length_c [8.7407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CsAsF4]
_chemical_formula_sum '[Cs2 As2 F8]'
_cell_volume [265.9335]
_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  2  0.3123  0.8045  0.2167  1.0
  As  As1  2  0.1575  0.8114  0.6919  1.0
  F  F2  2  0.0084  0.2992  0.1680  1.0
  F  F3  2  0.1648  0.4400  0.7047  1.0
  F  F4  2  0.3632  0.7825  0.5873  1.0
  F  F5  2  0.3879  0.8652  0.8804  1.0
]