data_Ce2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   8.35
_cell_angle_alpha   106.47
_cell_angle_beta   106.47
_cell_angle_gamma   28.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Mg
_chemical_formula_sum   'Ce4 Mg2'
_cell_volume   174.67
_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  0.01  0.0  0.02  1.0
  Ce  Ce1  1  0.92  0.0  0.66  1.0
  Ce  Ce2  1  0.69  0.0  0.34  1.0
  Ce  Ce3  1  0.1  0.0  0.51  1.0
  Mg  Mg4  1  0.42  0.0  0.25  1.0
  Mg  Mg5  1  0.22  0.0  0.85  1.0

data_Ce2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   6.74
_cell_length_c   8.35
_cell_angle_alpha   106.47
_cell_angle_beta   90.0
_cell_angle_gamma   104.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Mg
_chemical_formula_sum   'Ce4 Mg2'
_cell_volume   174.67
_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  0.08  0.34  1.0
  Ce  Ce1  1  0.0  0.31  0.66  1.0
  Ce  Ce2  1  0.0  0.9  0.49  1.0
  Ce  Ce3  1  0.0  0.99  0.98  1.0
  Mg  Mg4  1  0.0  0.58  0.75  1.0
  Mg  Mg5  1  0.0  0.78  0.15  1.0

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