data_Ce3Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Pa
_chemical_formula_sum   'Ce6 Pa2'
_cell_volume   207.69
_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
  Ce  Ce0  1  0.0  0.91  0.25  1.0
  Ce  Ce1  1  0.4  0.68  0.25  1.0
  Ce  Ce2  1  0.6  0.68  0.25  1.0
  Ce  Ce3  1  0.25  0.72  0.42  1.0
  Ce  Ce4  1  0.85  0.96  0.42  1.0
  Ce  Ce5  1  0.66  0.96  0.42  1.0
  Pa  Pa6  1  0.0  0.76  0.42  1.0
  Pa  Pa7  1  0.25  0.88  0.25  1.0

data_Ce3Pa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.67
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ce3Pa
_chemical_formula_sum   'Ce6 Pa2'
_cell_volume   207.69
_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
  Ce  Ce0  2  0.08  0.13  0.4  1.0
  Ce  Ce1  2  0.08  0.53  0.64  1.0
  Ce  Ce2  2  0.08  0.72  0.64  1.0
  Pa  Pa3  2  0.08  0.87  0.44  1.0

Ce Ce Ce Ce Ce Ce Pa Pa
Ce Ce Ce Ce Ce Ce Pa Pa 0 4 - o o 0 6 o o o 1 3 o o o 1 2 o o o 3 7 o o o 4 5 o o o 6 7 o o o 