data_[La3Sn2Ge1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8842]
_cell_length_b [5.8842]
_cell_length_c [8.8914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La3Sn2GePd6]
_chemical_formula_sum '[La3 Sn2 Ge1 Pd6]'
_cell_volume [266.6150]
_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  0.3596  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.3333  0.6667  0.9587  1.0
  Ge  Ge3  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  6  0.1721  0.3443  0.7054  1.0
]