data_PdF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdF3
_chemical_formula_sum   'Pd2 F6'
_cell_volume   85.44
_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
  Pd  Pd6  1  0.79  0.61  0.38  1.0
  Pd  Pd7  1  0.0  0.22  0.79  1.0
  F  F0  1  0.97  0.92  0.79  1.0
  F  F1  1  0.6  0.92  0.79  1.0
  F  F2  1  0.79  0.98  0.79  1.0
  F  F3  1  0.81  0.9  0.38  1.0
  F  F4  1  0.19  0.9  0.38  1.0
  F  F5  1  0.0  0.85  0.38  1.0

data_PdF3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.18
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PdF3
_chemical_formula_sum   'Pd2 F6'
_cell_volume   85.44
_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
  Pd  Pd0  2  0.29  0.39  0.2  1.0
  F  F1  2  0.29  0.42  0.49  1.0
  F  F2  2  0.29  0.61  0.43  1.0
  F  F3  2  0.29  0.79  0.49  1.0

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