data_[Bi2Pd2I2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7958]
_cell_length_b [4.8128]
_cell_length_c [8.5228]
_cell_angle_alpha [98.6753]
_cell_angle_beta [100.4859]
_cell_angle_gamma [100.6143]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiPdI]
_chemical_formula_sum '[Bi2 Pd2 I2]'
_cell_volume [186.6334]
_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
[
  Bi  Bi0  2  0.3213  0.3318  0.8275  1
  Pd  Pd1  2  0.1929  0.8088  0.0007  1
  I  I2  2  0.2233  0.2082  0.3076  1
]