data_Cd3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   134.32
_cell_angle_beta   134.32
_cell_angle_gamma   66.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3F
_chemical_formula_sum   'Cd3 F1'
_cell_volume   74.71
_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
  Cd  Cd0  1  0.0  0.05  0.21  1.0
  Cd  Cd1  1  0.05  0.0  0.21  1.0
  Cd  Cd2  1  0.0  0.0  0.42  1.0
  F  F3  1  0.0  0.0  0.0  1.0

data_Cd3F
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   123.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd3F
_chemical_formula_sum   'Cd6 F2'
_cell_volume   149.42
_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+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
  Cd  Cd0  4  0.32  0.47  0.84  1.0
  Cd  Cd1  2  0.08  0.5  0.58  1.0
  F  F2  2  0.0  0.0  0.0  1.0

Cd Cd Cd F