data_[Li2Si1B1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3957]
_cell_length_b [5.6152]
_cell_length_c [5.6168]
_cell_angle_alpha [73.0791]
_cell_angle_beta [68.6014]
_cell_angle_gamma [75.4893]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2SiBPd6]
_chemical_formula_sum '[Li2 Si1 B1 Pd6]'
_cell_volume [149.5837]
_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
[
  Li  Li0  2  0.3223  0.2168  0.1629  1.0
  Si  Si1  1  0.0000  0.0000  0.0000  1.0
  B  B2  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd3  2  0.1918  0.6710  0.3171  1.0
  Pd  Pd4  2  0.2066  0.6356  0.8225  1.0
  Pd  Pd5  2  0.3515  0.1651  0.6497  1.0
]