data_[V4Ni12Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1734]
_cell_length_b [3.5529]
_cell_length_c [7.6516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Ni6Ru]
_chemical_formula_sum '[V4 Ni12 Ru2]'
_cell_volume [208.5420]
_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  4  0.1696  0.5000  0.7295  1.0
  Ni  Ni1  4  0.0015  0.0000  0.1642  1.0
  Ni  Ni2  4  0.1658  0.5000  0.0541  1.0
  Ni  Ni3  4  0.1668  0.5000  0.3896  1.0
  Ru  Ru4  2  0.0000  0.0000  0.5000  1.0
]