data_[Zr4Bi2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6334]
_cell_length_b [4.1468]
_cell_length_c [6.6107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2BiPd8]
_chemical_formula_sum '[Zr4 Bi2 Pd16]'
_cell_volume [383.5990]
_cell_formula_units_Z [2]
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  0.2170  0.0000  0.6624  1
  Bi  Bi1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0421  0.0000  0.7206  1
  Pd  Pd3  4  0.0965  0.5000  0.4590  1
  Pd  Pd4  4  0.1505  0.0000  0.2068  1
  Pd  Pd5  4  0.1800  0.5000  0.9104  1
]