data_[Zr4Ni4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1618]
_cell_length_b [3.3576]
_cell_length_c [6.8111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrNiPd]
_chemical_formula_sum '[Zr4 Ni4 Pd4]'
_cell_volume [194.2566]
_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
[
  Zr  Zr0  4  0.0027  0.0000  0.2397  1
  Ni  Ni1  4  0.1588  0.5000  0.0564  1
  Pd  Pd2  4  0.1715  0.5000  0.6081  1
]