data_[V8Ir4Ru4]
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 [4.0923]
_cell_length_b [6.8318]
_cell_length_c [7.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V2IrRu]
_chemical_formula_sum '[V8 Ir4 Ru4]'
_cell_volume [221.9990]
_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  0.3700  1.0
  V  V1  2  0.0000  0.0000  0.9325  1.0
  V  V2  2  0.5000  0.0000  0.1763  1.0
  V  V3  2  0.5000  0.0000  0.6127  1.0
  Ru  Ru4  4  0.0000  0.2227  0.6473  1.0
  Ir  Ir5  4  0.5000  0.2205  0.8949  1.0
]