data_[Ce4Be4Ni24B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3204]
_cell_length_b [8.2008]
_cell_length_c [10.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CeBeNi6B]
_chemical_formula_sum '[Ce4 Be4 Ni24 B4]'
_cell_volume [448.3888]
_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  0.2500  0.6603  1
  Be  Be1  4  0.2500  0.2500  0.2500  1
  Ni  Ni2  16  0.2478  0.0183  0.1310  1
  Ni  Ni3  4  0.0000  0.2500  0.4174  1
  Ni  Ni4  4  0.0000  0.2500  0.9743  1
  B  B5  4  0.0000  0.0000  0.0000  1
]