data_[B4As10Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8411]
_cell_length_b [6.5313]
_cell_length_c [7.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B2As5Pd12]
_chemical_formula_sum '[B4 As10 Pd24]'
_cell_volume [628.0648]
_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  4  0.0000  0.2428  0.0000  1.0
  As  As1  4  0.1826  0.5000  0.8235  1.0
  As  As2  4  0.2226  0.5000  0.3699  1.0
  As  As3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  8  0.1335  0.2741  0.5318  1.0
  Pd  Pd5  8  0.1671  0.2572  0.0768  1.0
  Pd  Pd6  4  0.0112  0.5000  0.1872  1.0
  Pd  Pd7  4  0.0248  0.0000  0.1972  1.0
]