data_[Zr16Pd8Rh24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.5577]
_cell_length_b [8.5577]
_cell_length_c [11.9578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Zr2PdRh3]
_chemical_formula_sum '[Zr16 Pd8 Rh24]'
_cell_volume [875.7168]
_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
[
  Zr  Zr0  16  0.0000  0.1988  0.8977  1
  Pd  Pd1  8  0.0000  0.0000  0.2952  1
  Rh  Rh2  16  0.2140  0.2140  0.5000  1
  Rh  Rh3  8  0.0000  0.2500  0.1250  1
]