data_[V4Ir4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3065]
_cell_length_b [5.4643]
_cell_length_c [9.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [VIrRu2]
_chemical_formula_sum '[V4 Ir4 Ru8]'
_cell_volume [222.9468]
_cell_formula_units_Z [4]
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
[
  V  V0  2  0.0000  0.0000  0.1003  1.0
  V  V1  2  0.5000  0.0000  0.4350  1.0
  Ru  Ru2  4  0.0000  0.2470  0.3534  1.0
  Ir  Ir3  4  0.5000  0.2482  0.1823  1.0
  Ru  Ru4  2  0.0000  0.0000  0.5983  1.0
  Ru  Ru5  2  0.5000  0.0000  0.9358  1.0
]