data_[Sb12Cl24F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8955]
_cell_length_b [9.9554]
_cell_length_c [16.3540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbCl2F3]
_chemical_formula_sum '[Sb12 Cl24 F36]'
_cell_volume [1361.7836]
_cell_formula_units_Z [12]
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  0.2171  0.6057  0.4035  1
  Sb  Sb1  4  0.2494  0.5447  0.0273  1
  Sb  Sb2  4  0.2898  0.1426  0.1806  1
  Cl  Cl3  4  0.0752  0.1696  0.0052  1
  Cl  Cl4  4  0.1342  0.6647  0.2387  1
  Cl  Cl5  4  0.2732  0.5696  0.7250  1
  Cl  Cl6  4  0.2756  0.2020  0.7756  1
  Cl  Cl7  4  0.3023  0.1005  0.4442  1
  Cl  Cl8  4  0.4951  0.1538  0.1777  1
  F  F9  4  0.0002  0.1070  0.1518  1
  F  F10  4  0.0251  0.5189  0.9288  1
  F  F11  4  0.2096  0.6891  0.9223  1
  F  F12  4  0.2099  0.0833  0.8856  1
  F  F13  4  0.2140  0.6790  0.0917  1
  F  F14  4  0.2855  0.5876  0.5427  1
  F  F15  4  0.3038  0.0832  0.6328  1
  F  F16  4  0.4349  0.6318  0.4665  1
  F  F17  4  0.4675  0.6121  0.1174  1
]