data_[La2Cd1B1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8452]
_cell_length_b [5.8452]
_cell_length_c [6.5812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La2CdBPd6]
_chemical_formula_sum '[La2 Cd1 B1 Pd6]'
_cell_volume [194.7301]
_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
[
  La  La0  2  0.3333  0.6667  0.7056  1
  Cd  Cd1  1  0.0000  0.0000  0.5000  1
  B  B2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  6  0.1759  0.8241  0.1794  1
]