data_[Ce4Cu12Sb8]
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 [C2/m]
_cell_length_a [16.0258]
_cell_length_b [4.2119]
_cell_length_c [7.9398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCu3Sb2]
_chemical_formula_sum '[Ce4 Cu12 Sb8]'
_cell_volume [486.3054]
_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  0.1328  0.0000  0.0499  1
  Cu  Cu1  4  0.0534  0.0000  0.4183  1
  Cu  Cu2  4  0.0874  0.5000  0.6312  1
  Cu  Cu3  4  0.1990  0.5000  0.4821  1
  Sb  Sb4  4  0.0252  0.5000  0.2124  1
  Sb  Sb5  4  0.2076  0.0000  0.7247  1
]