data_[V16Cr4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1368]
_cell_length_b [8.1667]
_cell_length_c [4.9322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V8Cr2Ru]
_chemical_formula_sum '[V16 Cr4 Ru2]'
_cell_volume [323.3275]
_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  8  0.1547  0.2417  0.7216  1
  V  V1  4  0.0828  0.5000  0.3443  1
  V  V2  4  0.2029  0.5000  0.9524  1
  Cr  Cr3  4  0.1387  0.0000  0.4712  1
  Ru  Ru4  2  0.0000  0.0000  0.0000  1
]