data_[Li1Ce1Mg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.5429]
_cell_length_b [6.5429]
_cell_length_c [10.2918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiCeMg14]
_chemical_formula_sum '[Li1 Ce1 Mg14]'
_cell_volume [381.5671]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  6  0.1665  0.3330  0.2416  1.0
  Mg  Mg3  3  0.0003  0.5001  0.0000  1.0
  Mg  Mg4  3  0.0157  0.5078  0.5000  1.0
  Mg  Mg5  2  0.6667  0.3333  0.7401  1.0
]