data_[La4B2Pd12Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8238]
_cell_length_b [5.8123]
_cell_length_c [7.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2BPd6Au]
_chemical_formula_sum '[La4 B2 Pd12 Au2]'
_cell_volume [389.2950]
_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
[
  La  La0  4  0.2469  0.5000  0.1818  1.0
  B  B1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  8  0.0579  0.2429  0.3446  1.0
  Pd  Pd3  4  0.2148  0.5000  0.7166  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]