data_CeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   6.64
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeP2
_chemical_formula_sum   'Ce4 P8'
_cell_volume   269.98
_cell_formula_units_Z   4
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  0.95  0.21  0.37  1.0
  Ce  Ce1  1  1.0  0.53  0.53  1.0
  Ce  Ce2  1  0.38  0.44  0.57  1.0
  Ce  Ce3  1  0.33  0.12  0.4  1.0
  P  P4  1  0.11  0.55  0.59  1.0
  P  P5  1  0.83  0.22  0.32  1.0
  P  P6  1  0.22  0.1  0.35  1.0
  P  P7  1  0.49  0.42  0.62  1.0
  P  P8  1  0.66  0.8  0.48  1.0
  P  P9  1  0.28  0.13  0.43  1.0
  P  P10  1  0.67  0.84  0.46  1.0
  P  P11  1  0.04  0.52  0.51  1.0

data_CeP2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.09
_cell_length_b   6.64
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   97.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeP2
_chemical_formula_sum   'Ce4 P8'
_cell_volume   269.98
_cell_formula_units_Z   4
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  0.27  0.29  0.43  1.0
  Ce  Ce1  2  0.38  0.62  0.6  1.0
  P  P2  2  0.01  0.98  0.51  1.0
  P  P3  2  0.32  0.6  0.65  1.0
  P  P4  2  0.33  0.28  0.38  1.0
  P  P5  2  0.34  0.3  0.46  1.0

Ce Ce Ce Ce P P P P P P P P