data_[Ce6Zn3Ni36B9]
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
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2385]
_cell_length_b [7.2385]
_cell_length_c [15.2832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Zn(Ni4B)3]
_chemical_formula_sum '[Ce6 Zn3 Ni36 B9]'
_cell_volume [693.4867]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3971  1
  Zn  Zn1  3  0.0000  0.0000  0.0000  1
  Ni  Ni2  18  0.0356  0.5178  0.3746  1
  Ni  Ni3  18  0.0667  0.5333  0.8105  1
  B  B4  9  0.0000  0.5000  0.5000  1
]