data_[Ba2Bi2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8068]
_cell_length_b [4.3708]
_cell_length_c [9.6712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaBiPdSe3]
_chemical_formula_sum '[Ba2 Bi2 Pd2 Se6]'
_cell_volume [363.9386]
_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
[
  Ba  Ba0  2  0.1746  0.2500  0.2401  1.0
  Bi  Bi1  2  0.3282  0.7500  0.8550  1.0
  Pd  Pd2  2  0.0866  0.2500  0.5529  1.0
  Se  Se3  2  0.1120  0.2500  0.8851  1.0
  Se  Se4  2  0.2158  0.7500  0.5319  1.0
  Se  Se5  2  0.4355  0.7500  0.1606  1.0
]