data_[Ce1Zn2Cu2Si1]
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
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4197]
_cell_length_b [4.4197]
_cell_length_c [5.6407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CeZn2Cu2Si]
_chemical_formula_sum '[Ce1 Zn2 Cu2 Si1]'
_cell_volume [110.1825]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.5000  1
  Zn  Zn1  2  0.5000  0.5000  0.2695  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Si  Si3  1  0.0000  0.0000  0.0000  1
]