data_[Li2Hf2Sn2Ir1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5604]
_cell_length_b [4.5604]
_cell_length_c [6.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Hf2Sn2IrRu]
_chemical_formula_sum '[Li2 Hf2 Sn2 Ir1 Ru1]'
_cell_volume [134.1674]
_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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1
  Li  Li1  1  0.5000  0.5000  0.0000  1
  Hf  Hf2  2  0.0000  0.5000  0.2500  1
  Sn  Sn3  2  0.0000  0.5000  0.7450  1
  Ir  Ir4  1  0.0000  0.0000  0.0000  1
  Ru  Ru5  1  0.5000  0.5000  0.5000  1
]