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 [Cm]
_cell_length_a [12.5329]
_cell_length_b [3.1423]
_cell_length_c [7.9996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeMg]
_chemical_formula_sum '[Ce6 Mg6]'
_cell_volume [306.9005]
_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  0.0518  0.0000  0.5721  1.0
  Ce  Ce1  2  0.1775  0.5000  0.3440  1.0
  Ce  Ce2  2  0.3809  0.0000  0.2994  1.0
  Mg  Mg3  2  0.2219  0.5000  0.9416  1.0
  Mg  Mg4  2  0.3348  0.0000  0.6897  1.0
  Mg  Mg5  2  0.4998  0.5000  0.9867  1.0
]