data_[Zr2Si4Ir3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  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 [4.0986]
_cell_length_b [4.0986]
_cell_length_c [9.5671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Zr2Si4Ir3Ru]
_chemical_formula_sum '[Zr2 Si4 Ir3 Ru1]'
_cell_volume [160.7129]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.7498  1.0
  Si  Si1  2  0.0000  0.5000  0.3705  1.0
  Si  Si2  1  0.0000  0.0000  0.0000  1.0
  Si  Si3  1  0.5000  0.5000  0.0000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.1284  1.0
  Ir  Ir5  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru6  1  0.5000  0.5000  0.5000  1.0
]