data_[Ce6Al4Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3685]
_cell_length_b [4.2129]
_cell_length_c [5.2235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Al2Sn3]
_chemical_formula_sum '[Ce6 Al4 Sn6]'
_cell_volume [412.2754]
_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  4  0.1416  0.0000  0.7471  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.2437  0.0000  0.3185  1
  Sn  Sn3  4  0.1361  0.5000  0.2384  1
  Sn  Sn4  2  0.0000  0.5000  0.5000  1
]