data_[Cu2Sb4Xe8F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Xe  2.6000  2.16  0.6200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.4117]
_cell_length_b [11.4117]
_cell_length_c [8.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CuSb2(XeF5)4]
_chemical_formula_sum '[Cu2 Sb4 Xe8 F40]'
_cell_volume [1104.6524]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.5000  1
  Sb  Sb1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  2  0.0000  0.5000  0.7500  1
  Xe  Xe3  8  0.1500  0.2668  0.3628  1
  F  F4  8  0.0347  0.1652  0.5151  1
  F  F5  8  0.0813  0.1466  0.0050  1
  F  F6  8  0.1072  0.6299  0.7537  1
  F  F7  8  0.1350  0.7501  0.2832  1
  F  F8  4  0.0000  0.0000  0.2294  1
  F  F9  4  0.0000  0.5000  0.5227  1
]