data_[Zr1Bi2Pd8]
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 [P-1]
_cell_length_a [5.0286]
_cell_length_b [5.0521]
_cell_length_c [7.7788]
_cell_angle_alpha [95.8757]
_cell_angle_beta [92.2092]
_cell_angle_gamma [98.6900]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr(BiPd4)2]
_chemical_formula_sum '[Zr1 Bi2 Pd8]'
_cell_volume [194.0310]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Bi  Bi1  2  0.1105  0.7999  0.2842  1
  Pd  Pd2  2  0.0400  0.2651  0.0887  1
  Pd  Pd3  2  0.2365  0.3632  0.4560  1
  Pd  Pd4  2  0.3330  0.9035  0.6498  1
  Pd  Pd5  2  0.4208  0.4567  0.8237  1
]