data_[V4Pd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8505]
_cell_length_b [2.7909]
_cell_length_c [6.3974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VPdRu]
_chemical_formula_sum '[V4 Pd4 Ru4]'
_cell_volume [171.1069]
_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  0.0966  0.0000  0.4415  1.0
  V  V1  2  0.4177  0.0000  0.1236  1.0
  Ru  Ru2  2  0.1256  0.0000  0.0725  1.0
  Pd  Pd3  2  0.2548  0.5000  0.7936  1.0
  Ru  Ru4  2  0.3102  0.5000  0.3758  1.0
  Pd  Pd5  2  0.4754  0.0000  0.7101  1.0
]