data_Cd3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3F
_chemical_formula_sum   'Cd6 F2'
_cell_volume   152.09
_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
  Cd  Cd0  1  0.0  0.75  0.76  1.0
  Cd  Cd1  1  0.44  0.25  0.76  1.0
  Cd  Cd2  1  0.56  0.25  0.76  1.0
  Cd  Cd3  1  0.96  0.37  0.25  1.0
  Cd  Cd4  1  0.52  0.88  0.25  1.0
  Cd  Cd5  1  0.4  0.88  0.25  1.0
  F  F6  1  0.0  0.42  0.25  1.0
  F  F7  1  0.96  0.71  0.76  1.0

data_Cd3F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.02
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd3F
_chemical_formula_sum   'Cd6 F2'
_cell_volume   152.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  'x+1/2, -y, -z'
  4  '-x+1/2, 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
  Cd  Cd0  2  0.25  0.04  0.81  1.0
  Cd  Cd1  2  0.25  0.48  0.31  1.0
  Cd  Cd2  2  0.25  0.92  0.81  1.0
  F  F3  2  0.25  0.52  0.35  1.0

Cd Cd Cd Cd Cd Cd F F
Cd Cd Cd Cd Cd Cd F F 0 7 - o o 1 2 o o o 3 6 + o o 4 5 o o o 