data_[Zr8Pd28]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.8887]
_cell_length_b [8.7808]
_cell_length_c [13.7930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Pd7]
_chemical_formula_sum '[Zr8 Pd28]'
_cell_volume [591.1208]
_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  0.2293  0.5000  0.0962  1
  Zr  Zr1  4  0.2374  0.0000  0.5954  1
  Pd  Pd2  8  0.0815  0.3225  0.2495  1
  Pd  Pd3  8  0.2196  0.1615  0.0797  1
  Pd  Pd4  8  0.2283  0.3379  0.5803  1
  Pd  Pd5  4  0.1157  0.0000  0.2503  1
]