data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   17.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Mg
_chemical_formula_sum   'Ce4 Mg2'
_cell_volume   156.15
_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  0.88  0.64  1.0
  Ce  Ce1  1  0.63  0.94  0.76  1.0
  Ce  Ce2  1  0.0  0.88  0.27  1.0
  Ce  Ce3  1  0.63  0.94  0.39  1.0
  Mg  Mg4  1  0.0  0.88  0.85  1.0
  Mg  Mg5  1  0.63  0.94  0.18  1.0

data_Ce2Mg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   17.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ce2Mg
_chemical_formula_sum   'Ce4 Mg2'
_cell_volume   156.15
_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  0.31  0.53  0.37  1.0
  Ce  Ce1  2  0.31  0.53  0.75  1.0
  Mg  Mg2  2  0.31  0.53  0.17  1.0

Ce Ce Ce Ce Mg Mg
Ce Ce Ce Ce Mg Mg 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 0 1 - - o 0 1 o o o 1 4 o o o 1 4 + o o 2 5 - o o 2 5 o o o 2 3 - o o 2 3 o o o 2 3 - - o 3 3 + + o 3 3 o + o 3 3 + o o 