data_[Ce4Cu5Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.5286]
_cell_length_b [4.5286]
_cell_length_c [19.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ce4Cu5Sb8]
_chemical_formula_sum '[Ce4 Cu5 Sb8]'
_cell_volume [408.1702]
_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  0.1243  1.0
  Ce  Ce1  1  0.0000  0.0000  0.6255  1.0
  Ce  Ce2  1  0.5000  0.5000  0.3759  1.0
  Ce  Ce3  1  0.5000  0.5000  0.8654  1.0
  Cu  Cu4  2  0.0000  0.5000  0.2533  1.0
  Cu  Cu5  2  0.0000  0.5000  0.7486  1.0
  Cu  Cu6  1  0.5000  0.5000  0.0606  1.0
  Sb  Sb7  2  0.0000  0.5000  0.5001  1.0
  Sb  Sb8  2  0.0000  0.5000  0.9909  1.0
  Sb  Sb9  1  0.0000  0.0000  0.3304  1.0
  Sb  Sb10  1  0.0000  0.0000  0.8249  1.0
  Sb  Sb11  1  0.5000  0.5000  0.1850  1.0
  Sb  Sb12  1  0.5000  0.5000  0.6721  1.0
]