data_[Cr8Xe4F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Xe  2.6000  2.16  0.6200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8733]
_cell_length_b [8.7637]
_cell_length_c [9.9110]
_cell_angle_alpha [77.8854]
_cell_angle_beta [80.1323]
_cell_angle_gamma [87.0072]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cr2XeF10]
_chemical_formula_sum '[Cr8 Xe4 F40]'
_cell_volume [658.6325]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  2  0.1998  0.9216  0.6225  1
  Cr  Cr1  2  0.2816  0.7458  0.9749  1
  Cr  Cr2  2  0.3867  0.2573  0.4374  1
  Cr  Cr3  2  0.4163  0.6648  0.2909  1
  Xe  Xe4  2  0.0759  0.5082  0.7212  1
  Xe  Xe5  2  0.1982  0.1305  0.0729  1
  F  F6  2  0.0321  0.7632  0.6822  1
  F  F7  2  0.0522  0.0471  0.6968  1
  F  F8  2  0.0868  0.6537  0.9727  1
  F  F9  2  0.1028  0.2777  0.7669  1
  F  F10  2  0.1237  0.9048  0.0458  1
  F  F11  2  0.1604  0.9581  0.4525  1
  F  F12  2  0.1661  0.2990  0.4781  1
  F  F13  2  0.2298  0.6236  0.4199  1
  F  F14  2  0.2387  0.3458  0.0993  1
  F  F15  2  0.2651  0.6493  0.1639  1
  F  F16  2  0.2803  0.8696  0.7965  1
  F  F17  2  0.3646  0.7639  0.5832  1
  F  F18  2  0.3744  0.0723  0.5763  1
  F  F19  2  0.3877  0.1579  0.3028  1
  F  F20  2  0.4003  0.8660  0.2683  1
  F  F21  2  0.4014  0.3416  0.8389  1
  F  F22  2  0.4187  0.6050  0.9199  1
  F  F23  2  0.4280  0.3642  0.5787  1
  F  F24  2  0.4292  0.4412  0.3064  1
  F  F25  2  0.4366  0.8758  0.9901  1
]