data_Cs2PbClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2PbClF6
_chemical_formula_sum   'Cs2 Pb1 Cl1 F6'
_cell_volume   246.22
_cell_formula_units_Z   1
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  0.49  0.49  0.49  1.0
  Cs  Cs1  1  0.46  0.46  0.46  1.0
  Pb  Pb2  1  0.97  0.97  0.97  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0
  F  F4  1  0.09  0.97  0.97  1.0
  F  F5  1  0.97  0.86  0.97  1.0
  F  F6  1  0.97  0.09  0.97  1.0
  F  F7  1  0.97  0.97  0.09  1.0
  F  F8  1  0.97  0.97  0.86  1.0
  F  F9  1  0.86  0.97  0.97  1.0

data_Cs2PbClF6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   17.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cs2PbClF6
_chemical_formula_sum   'Cs6 Pb3 Cl3 F18'
_cell_volume   738.67
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.51  1.0
  Cs  Cs1  3  0.0  0.0  0.54  1.0
  Pb  Pb2  3  0.0  0.0  0.03  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0
  F  F4  9  0.04  0.08  0.99  1.0
  F  F5  9  0.08  0.04  0.06  1.0

Cs Cs Pb Cl F F F F F F