data_[La4Be2Si2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1902]
_cell_length_b [5.9710]
_cell_length_c [6.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2BeSiPd6]
_chemical_formula_sum '[La4 Be2 Si2 Pd12]'
_cell_volume [376.0022]
_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  0.2329  0.5000  0.1918  1.0
  Be  Be1  2  0.0000  0.5000  0.5000  1.0
  Si  Si2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0245  0.2370  0.3022  1.0
  Pd  Pd4  4  0.2395  0.5000  0.7128  1.0
]