data_[Zr12Sb12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.7514]
_cell_length_b [11.8517]
_cell_length_c [6.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [ZrSbPd]
_chemical_formula_sum '[Zr12 Sb12 Pd12]'
_cell_volume [722.5509]
_cell_formula_units_Z [12]
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
[
  Zr  Zr0  4  0.2500  0.1926  0.9541  1.0
  Zr  Zr1  4  0.2500  0.5080  0.8194  1.0
  Zr  Zr2  4  0.2500  0.7412  0.5069  1.0
  Sb  Sb3  8  0.0095  0.1683  0.2535  1.0
  Sb  Sb4  4  0.2500  0.5414  0.2524  1.0
  Pd  Pd5  8  0.0485  0.1196  0.6225  1.0
  Pd  Pd6  4  0.0000  0.0000  0.9949  1.0
]