data_[Bi2Pd1I1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9489]
_cell_length_b [5.0479]
_cell_length_c [7.1405]
_cell_angle_alpha [80.8914]
_cell_angle_beta [82.8950]
_cell_angle_gamma [85.6117]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Bi2PdIO8]
_chemical_formula_sum '[Bi2 Pd1 I1 O8]'
_cell_volume [174.4835]
_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
[
  Bi  Bi0  2  0.4597  0.4869  0.2575  1.0
  Pd  Pd1  1  0.0000  0.0000  0.5000  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1272  0.1329  0.2159  1.0
  O  O4  2  0.1635  0.2767  0.8203  1.0
  O  O5  2  0.3036  0.7244  0.5018  1.0
  O  O6  2  0.3259  0.7670  0.9799  1.0
]