data_[Ce16Mg8Si32]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.9511]
_cell_length_b [5.9511]
_cell_length_c [34.5756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ce2MgSi4]
_chemical_formula_sum '[Ce16 Mg8 Si32]'
_cell_volume [1224.5297]
_cell_formula_units_Z [8]
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  16  0.0000  0.2463  0.7972  1
  Mg  Mg1  8  0.0000  0.2500  0.1250  1
  Si  Si2  16  0.0000  0.2014  0.3318  1
  Si  Si3  16  0.0000  0.2289  0.2639  1
]