data_Cs2NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2NbF6
_chemical_formula_sum   'Cs2 Nb1 F6'
_cell_volume   185.7
_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  0.26  0.88  0.52  1.0
  Cs  Cs1  1  0.0  0.77  0.51  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  F  F3  1  0.03  0.87  0.98  1.0
  F  F4  1  0.26  0.92  0.98  1.0
  F  F5  1  0.5  0.87  0.98  1.0
  F  F6  1  0.23  0.79  0.05  1.0
  F  F7  1  0.0  0.73  0.05  1.0
  F  F8  1  0.77  0.79  0.05  1.0

data_Cs2NbF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2NbF6
_chemical_formula_sum   'Cs2 Nb1 F6'
_cell_volume   185.7
_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  0.51  0.0  0.77  1.0
  Cs  Cs1  1  0.52  0.26  0.88  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  F  F3  1  0.05  0.0  0.73  1.0
  F  F4  1  0.05  0.23  0.79  1.0
  F  F5  1  0.05  0.77  0.79  1.0
  F  F6  1  0.98  0.03  0.87  1.0
  F  F7  1  0.98  0.26  0.92  1.0
  F  F8  1  0.98  0.5  0.87  1.0

Cs Cs Nb F F F F F F