data_[La2Be1Sn1Pd6]
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
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8951]
_cell_length_b [5.9487]
_cell_length_c [7.3930]
_cell_angle_alpha [68.6145]
_cell_angle_beta [67.1576]
_cell_angle_gamma [60.4001]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2BeSnPd6]
_chemical_formula_sum '[La2 Be1 Sn1 Pd6]'
_cell_volume [202.8525]
_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  0.2597  0.2498  0.2125  1
  Be  Be1  1  0.5000  0.5000  0.5000  1
  Sn  Sn2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.2160  0.7157  0.3156  1
  Pd  Pd4  2  0.2630  0.2803  0.7065  1
  Pd  Pd5  2  0.2734  0.8182  0.6598  1
]