data_[V2Ir6Ru8]
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 [C2/m]
_cell_length_a [11.7648]
_cell_length_b [2.7164]
_cell_length_c [8.9922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VIr3Ru4]
_chemical_formula_sum '[V2 Ir6 Ru8]'
_cell_volume [225.2537]
_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
[
  V  V0  2  0.0000  0.5000  0.0000  1
  Ru  Ru1  4  0.1229  0.5000  0.3701  1
  Ru  Ru2  4  0.1231  0.0000  0.8793  1
  Ir  Ir3  4  0.2461  0.0000  0.2461  1
  Ir  Ir4  2  0.0000  0.0000  0.5000  1
]