data_[Ce4Re4B56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8715]
_cell_length_b [10.9181]
_cell_length_c [8.2632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CeReB14]
_chemical_formula_sum '[Ce4 Re4 B56]'
_cell_volume [529.7200]
_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  0.6235  1
  Re  Re1  4  0.2500  0.2500  0.2500  1
  B  B2  16  0.1628  0.0627  0.8392  1
  B  B3  16  0.2457  0.0779  0.0497  1
  B  B4  8  0.0000  0.0823  0.1696  1
  B  B5  8  0.0000  0.1208  0.3683  1
  B  B6  8  0.0000  0.1671  0.9619  1
]