data_CeTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTi
_chemical_formula_sum   'Ce2 Ti2'
_cell_volume   145.08
_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  0.04  0.53  1.0
  Ce  Ce1  1  0.63  0.52  0.51  1.0
  Ti  Ti2  1  0.63  0.52  0.53  1.0
  Ti  Ti3  1  0.0  0.04  0.51  1.0

data_CeTi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeTi
_chemical_formula_sum   'Ce2 Ti2'
_cell_volume   145.08
_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  0.32  0.24  0.49  1.0
  Ti  Ti1  2  0.32  0.24  0.51  1.0

Ce Ce Ti Ti