data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.68
_cell_length_b   12.68
_cell_length_c   12.68
_cell_angle_alpha   161.99
_cell_angle_beta   161.99
_cell_angle_gamma   25.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Mg
_chemical_formula_sum   'Ce4 Mg2'
_cell_volume   194.79
_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  0.0  0.95  1.0
  Ce  Ce1  1  0.0  0.0  0.6  1.0
  Ce  Ce2  1  0.98  0.0  0.41  1.0
  Ce  Ce3  1  0.0  0.0  0.13  1.0
  Mg  Mg4  1  0.0  0.98  0.18  1.0
  Mg  Mg5  1  0.0  0.0  0.0  1.0

data_Ce2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   12.68
_cell_angle_alpha   99.01
_cell_angle_beta   99.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Mg
_chemical_formula_sum   'Ce4 Mg2'
_cell_volume   194.79
_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  0.05  0.0  0.04  1.0
  Ce  Ce1  1  0.4  0.0  0.4  1.0
  Ce  Ce2  1  0.59  0.0  0.57  1.0
  Ce  Ce3  1  0.87  0.0  0.87  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.8  0.98  0.8  1.0

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