data_CsSbClF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   9.27
_cell_angle_alpha   115.04
_cell_angle_beta   115.04
_cell_angle_gamma   98.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSbClF3
_chemical_formula_sum   'Cs4 Sb4 Cl4 F12'
_cell_volume   597.79
_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
  Cs  Cs0  1  0.0  0.0  0.36  1.0
  Cs  Cs1  1  0.98  0.0  0.02  1.0
  Cs  Cs2  1  0.0  0.98  0.02  1.0
  Cs  Cs3  1  0.0  0.0  0.7  1.0
  Sb  Sb4  1  0.1  0.9  0.5  1.0
  Sb  Sb5  1  0.9  0.1  0.5  1.0
  Sb  Sb6  1  0.88  0.88  0.53  1.0
  Sb  Sb7  1  0.1  0.1  0.56  1.0
  Cl  Cl8  1  0.89  0.0  0.0  1.0
  Cl  Cl9  1  0.0  0.89  0.0  1.0
  Cl  Cl10  1  0.0  0.07  0.0  1.0
  Cl  Cl11  1  0.07  0.0  0.0  1.0
  F  F12  1  0.69  0.75  0.41  1.0
  F  F13  1  0.29  0.23  0.44  1.0
  F  F14  1  0.75  0.69  0.41  1.0
  F  F15  1  0.23  0.71  0.62  1.0
  F  F16  1  0.75  0.26  0.59  1.0
  F  F17  1  0.71  0.23  0.62  1.0
  F  F18  1  0.26  0.75  0.59  1.0
  F  F19  1  0.77  0.77  0.28  1.0
  F  F20  1  0.21  0.21  0.25  1.0
  F  F21  1  0.23  0.77  0.78  1.0
  F  F22  1  0.77  0.23  0.78  1.0
  F  F23  1  0.23  0.29  0.44  1.0

data_CsSbClF3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   12.06
_cell_length_b   14.08
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   130.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CsSbClF3
_chemical_formula_sum   'Cs8 Sb8 Cl8 F24'
_cell_volume   1195.58
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cs  Cs0  4  0.47  0.49  0.98  1.0
  Cs  Cs1  2  0.14  0.5  0.64  1.0
  Cs  Cs2  2  0.3  0.0  0.3  1.0
  Sb  Sb3  4  0.5  0.1  0.5  1.0
  Sb  Sb4  2  0.04  0.5  0.44  1.0
  Sb  Sb5  2  0.35  0.0  0.47  1.0
  Cl  Cl6  4  0.03  0.03  0.0  1.0
  Cl  Cl7  4  0.44  0.44  0.0  1.0
  F  F8  4  0.22  0.23  0.22  1.0
  F  F9  4  0.32  0.03  0.59  1.0
  F  F10  4  0.32  0.47  0.56  1.0
  F  F11  4  0.35  0.26  0.38  1.0
  F  F12  4  0.41  0.26  0.41  1.0
  F  F13  2  0.45  0.5  0.75  1.0
  F  F14  2  0.49  0.0  0.72  1.0

Cs Cs Cs Cs Sb Sb Sb Sb Cl Cl Cl Cl F F F F F F F F F F F F