data_[Ce16Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9069]
_cell_length_b [10.9069]
_cell_length_c [5.2726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ce4Sn]
_chemical_formula_sum '[Ce16 Sn4]'
_cell_volume [627.2354]
_cell_formula_units_Z [4]
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  8  0.0924  0.7793  0.5000  1
  Ce  Ce1  4  0.0000  0.0000  0.2427  1
  Ce  Ce2  4  0.1102  0.3898  0.5000  1
  Sn  Sn3  4  0.0986  0.5986  0.0000  1
]