data_[Ce4Zn12Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7164]
_cell_length_b [4.0989]
_cell_length_c [7.4405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeZn3Si2]
_chemical_formula_sum '[Ce4 Zn12 Si8]'
_cell_volume [428.8427]
_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  4  0.1434  0.0000  0.0661  1.0
  Zn  Zn1  4  0.0424  0.0000  0.3837  1.0
  Zn  Zn2  4  0.1146  0.5000  0.7243  1.0
  Zn  Zn3  4  0.1831  0.5000  0.4496  1.0
  Si  Si4  4  0.0151  0.5000  0.1679  1.0
  Si  Si5  4  0.2033  0.0000  0.7034  1.0
]