data_[Zr4Zn4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0378]
_cell_length_b [3.4742]
_cell_length_c [7.2642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrZnPd]
_chemical_formula_sum '[Zr4 Zn4 Pd4]'
_cell_volume [213.0819]
_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  2  0.2317  0.0000  0.3458  1.0
  Zr  Zr1  2  0.3618  0.0000  0.9470  1.0
  Zn  Zn2  2  0.1282  0.5000  0.5962  1.0
  Zn  Zn3  2  0.1483  0.5000  0.9797  1.0
  Pd  Pd4  2  0.4382  0.5000  0.3009  1.0
  Pd  Pd5  2  0.4454  0.5000  0.7040  1.0
]