data_[Cs10Cu2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6072]
_cell_length_b [8.6072]
_cell_length_c [9.4566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cs5CuF8]
_chemical_formula_sum '[Cs10 Cu2 F16]'
_cell_volume [700.5818]
_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  0.1313  0.2764  0.1026  1.0
  Cs  Cs1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.7500  1.0
  F  F3  8  0.0259  0.2945  0.7600  1.0
  F  F4  8  0.1029  0.3066  0.4076  1.0
]