data_Cs2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   7.74
_cell_angle_alpha   57.24
_cell_angle_beta   57.24
_cell_angle_gamma   57.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2F3
_chemical_formula_sum   'Cs4 F6'
_cell_volume   306.64
_cell_formula_units_Z   2
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  0.6  1.0
  Cs  Cs1  1  0.0  0.0  0.4  1.0
  Cs  Cs2  1  0.0  0.0  0.94  1.0
  Cs  Cs3  1  0.0  0.0  0.73  1.0
  F  F4  1  0.36  0.3  0.28  1.0
  F  F5  1  0.06  0.56  0.28  1.0
  F  F6  1  0.58  0.14  0.28  1.0
  F  F7  1  0.42  0.86  0.06  1.0
  F  F8  1  0.94  0.44  0.06  1.0
  F  F9  1  0.64  0.7  0.06  1.0

data_Cs2F3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.74
_cell_angle_alpha   61.38
_cell_angle_beta   61.38
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs2F3
_chemical_formula_sum   'Cs4 F6'
_cell_volume   306.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.06  0.44  1.0
  Cs  Cs1  2  0.0  0.27  0.23  1.0
  F  F2  2  0.14  0.61  0.17  1.0
  F  F3  2  0.3  0.61  0.23  1.0
  F  F4  2  0.44  0.39  0.74  1.0

Cs Cs Cs Cs F F F F F F
Cs Cs Cs Cs F F F F F F 0 3 o o o 0 1 o o o 2 3 o o o 4 6 o o o 4 5 o o o 7 9 o o o 8 9 o o o 