data_[Zn4Ir2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9896]
_cell_length_b [2.7944]
_cell_length_c [4.5921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2IrRu]
_chemical_formula_sum '[Zn4 Ir2 Ru2]'
_cell_volume [113.5756]
_cell_formula_units_Z [2]
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
[
  Zn  Zn0  2  0.2547  0.5000  0.2441  1
  Zn  Zn1  2  0.4955  0.5000  0.0058  1
  Ir  Ir2  2  0.0056  0.5000  0.5106  1
  Ru  Ru3  2  0.2442  0.0000  0.7395  1
]