data_CePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   140.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePt
_chemical_formula_sum   'Ce2 Pt2'
_cell_volume   101.09
_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
  Ce  Ce0  1  0.98  0.02  0.46  1.0
  Ce  Ce1  1  0.98  0.98  0.15  1.0
  Pt  Pt2  1  0.98  0.03  0.15  1.0
  Pt  Pt3  1  0.98  0.97  0.46  1.0

data_CePt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.96
_cell_length_b   4.61
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CePt
_chemical_formula_sum   'Ce2 Pt2'
_cell_volume   101.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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  0.02  0.35  0.02  1.0
  Pt  Pt1  2  0.03  0.65  0.03  1.0

Ce Ce Pt Pt
Ce Ce Pt Pt 0 3 o - o 1 2 o + o 