data_[Cr4Sb4F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0611]
_cell_length_b [9.4583]
_cell_length_c [11.2856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrSbF10]
_chemical_formula_sum '[Cr4 Sb4 F40]'
_cell_volume [533.9290]
_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  4  0.1619  0.7451  0.7811  1
  Sb  Sb1  2  0.5000  0.0000  0.0000  1
  Sb  Sb2  2  0.5000  0.0000  0.5000  1
  F  F3  4  0.0114  0.0921  0.7540  1
  F  F4  4  0.0727  0.1736  0.1491  1
  F  F5  4  0.0825  0.6737  0.1457  1
  F  F6  4  0.1998  0.5753  0.5570  1
  F  F7  4  0.2029  0.0813  0.5545  1
  F  F8  4  0.2826  0.6688  0.9475  1
  F  F9  4  0.3138  0.1676  0.9532  1
  F  F10  4  0.3798  0.5823  0.3405  1
  F  F11  4  0.3966  0.0803  0.3472  1
  F  F12  4  0.4711  0.6856  0.7594  1
]