data_[Ce4Ni48B24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6072]
_cell_length_b [7.4195]
_cell_length_c [11.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce(Ni2B)6]
_chemical_formula_sum '[Ce4 Ni48 B24]'
_cell_volume [790.6293]
_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  0.0000  0.1667  0.0005  1
  Ni  Ni1  8  0.1322  0.3428  0.2261  1
  Ni  Ni2  8  0.1324  0.3276  0.7648  1
  Ni  Ni3  8  0.1332  0.0131  0.2439  1
  Ni  Ni4  8  0.1825  0.1888  0.5629  1
  Ni  Ni5  8  0.1914  0.4664  0.4328  1
  Ni  Ni6  4  0.0000  0.2232  0.4007  1
  Ni  Ni7  4  0.0000  0.4308  0.5836  1
  B  B8  8  0.2059  0.1931  0.3779  1
  B  B9  8  0.2134  0.4629  0.6144  1
  B  B10  4  0.0000  0.1649  0.6660  1
  B  B11  4  0.0000  0.4867  0.3407  1
]