data_[V4Cr8Ru20]
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 [Fmm2]
_cell_length_a [5.4247]
_cell_length_b [8.5724]
_cell_length_c [9.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [VCr2Ru5]
_chemical_formula_sum '[V4 Cr8 Ru20]'
_cell_volume [430.3029]
_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  4  0.0000  0.0000  0.7399  1
  Cr  Cr1  8  0.0000  0.2403  0.0668  1
  Ru  Ru2  8  0.2459  0.0000  0.4933  1
  Ru  Ru3  8  0.2500  0.2500  0.3141  1
  Ru  Ru4  4  0.0000  0.0000  0.2357  1
]