data_[Sb8Br4F60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6489]
_cell_length_b [13.4407]
_cell_length_c [13.1629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sb2BrF15]
_chemical_formula_sum '[Sb8 Br4 F60]'
_cell_volume [821.7861]
_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
[
  Sb  Sb0  4  0.0975  0.1362  0.8366  1
  Sb  Sb1  4  0.3931  0.1335  0.1718  1
  Br  Br2  4  0.2590  0.6441  0.9951  1
  F  F3  4  0.0570  0.1550  0.0908  1
  F  F4  4  0.0587  0.7461  0.5849  1
  F  F5  4  0.0675  0.1365  0.5832  1
  F  F6  4  0.0785  0.5437  0.5804  1
  F  F7  4  0.1140  0.5562  0.0750  1
  F  F8  4  0.2126  0.0461  0.2597  1
  F  F9  4  0.2328  0.6520  0.7485  1
  F  F10  4  0.2423  0.2460  0.2580  1
  F  F11  4  0.2794  0.6470  0.2414  1
  F  F12  4  0.2821  0.0531  0.7456  1
  F  F13  4  0.4014  0.5541  0.9174  1
  F  F14  4  0.4131  0.1374  0.4269  1
  F  F15  4  0.4284  0.5459  0.4160  1
  F  F16  4  0.4289  0.1551  0.9206  1
  F  F17  4  0.4616  0.7489  0.4010  1
]