data_[B2Pd12Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6851]
_cell_length_b [5.7492]
_cell_length_c [9.4142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [B(Pd3Se)2]
_chemical_formula_sum '[B2 Pd12 Se4]'
_cell_volume [294.2044]
_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
[
  B  B0  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.1786  0.1892  0.4858  1.0
  Pd  Pd2  4  0.2970  0.6868  0.4603  1.0
  Pd  Pd3  4  0.4603  0.0738  0.2728  1.0
  Se  Se4  4  0.1353  0.1046  0.7403  1.0
]