data_[La6Al3Ni4Sn1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [9.6294]
_cell_length_b [9.6294]
_cell_length_c [4.2724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [La6Al3Ni4SnRu]
_chemical_formula_sum '[La6 Al3 Ni4 Sn1 Ru1]'
_cell_volume [343.0908]
_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  3  0.1598  0.3196  0.0000  1.0
  La  La1  3  0.4150  0.2075  0.5000  1.0
  Al  Al2  3  0.1422  0.5711  0.5000  1.0
  Ni  Ni3  3  0.5095  0.0190  0.0000  1.0
  Ni  Ni4  1  0.3333  0.6667  0.0000  1.0
  Sn  Sn5  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru6  1  0.6667  0.3333  0.0000  1.0
]