data_[Mg8B8Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4771]
_cell_length_b [10.4813]
_cell_length_c [5.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgBPd3]
_chemical_formula_sum '[Mg8 B8 Pd24]'
_cell_volume [578.8488]
_cell_formula_units_Z [8]
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
[
  Mg  Mg0  4  0.0000  0.0156  0.7500  1
  Mg  Mg1  4  0.0000  0.3433  0.7500  1
  B  B2  8  0.2220  0.3800  0.1560  1
  Pd  Pd3  8  0.1153  0.1861  0.5263  1
  Pd  Pd4  8  0.1466  0.4520  0.4335  1
  Pd  Pd5  8  0.1766  0.1708  0.0953  1
]