data_[Cr1Bi2Pd1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0109]
_cell_length_b [5.3720]
_cell_length_c [5.8061]
_cell_angle_alpha [114.7816]
_cell_angle_beta [108.3015]
_cell_angle_gamma [90.5036]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrBi2PdO6]
_chemical_formula_sum '[Cr1 Bi2 Pd1 O6]'
_cell_volume [132.9221]
_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
[
  Cr  Cr0  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi1  2  0.2312  0.2633  0.4847  1.0
  Pd  Pd2  1  0.5000  0.0000  0.0000  1.0
  O  O3  2  0.1793  0.1646  0.8292  1.0
  O  O4  2  0.1982  0.6597  0.8271  1.0
  O  O5  2  0.2981  0.6317  0.3584  1.0
]