data_[Li2Zr2Ge2Ir1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  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 [4.4353]
_cell_length_b [4.4353]
_cell_length_c [6.2730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Zr2Ge2IrRu]
_chemical_formula_sum '[Li2 Zr2 Ge2 Ir1 Ru1]'
_cell_volume [123.3992]
_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
  Zr  Zr2  2  0.0000  0.5000  0.7493  1
  Ge  Ge3  2  0.0000  0.5000  0.2556  1
  Ir  Ir4  1  0.0000  0.0000  0.0000  1
  Ru  Ru5  1  0.5000  0.5000  0.5000  1
]