data_[Ce10Mg2]
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 [12.7427]
_cell_length_b [3.2404]
_cell_length_c [8.0172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce5Mg]
_chemical_formula_sum '[Ce10 Mg2]'
_cell_volume [312.1349]
_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  2  0.0619  0.0000  0.6251  1.0
  Ce  Ce1  2  0.1667  0.5000  0.3302  1.0
  Ce  Ce2  2  0.2046  0.5000  0.9082  1.0
  Ce  Ce3  2  0.3487  0.0000  0.6756  1.0
  Ce  Ce4  2  0.4987  0.5000  0.0169  1.0
  Mg  Mg5  2  0.3861  0.0000  0.2773  1.0
]