data_[Ce6Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2934]
_cell_length_b [5.5578]
_cell_length_c [9.2011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeMg]
_chemical_formula_sum '[Ce6 Mg6]'
_cell_volume [365.5175]
_cell_formula_units_Z [6]
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  2  0.1379  0.2500  0.0443  1
  Ce  Ce1  2  0.2040  0.7500  0.3092  1
  Ce  Ce2  2  0.3565  0.7500  0.9251  1
  Mg  Mg3  2  0.0223  0.7500  0.6140  1
  Mg  Mg4  2  0.2985  0.2500  0.6834  1
  Mg  Mg5  2  0.4661  0.2500  0.3872  1
]