data_[V4Tc2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1369]
_cell_length_b [6.6334]
_cell_length_c [6.9314]
_cell_angle_alpha [111.3231]
_cell_angle_beta [104.4330]
_cell_angle_gamma [104.6513]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V2TcRu4]
_chemical_formula_sum '[V4 Tc2 Ru8]'
_cell_volume [197.0207]
_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  1  0.1331  0.6127  0.9325  1
  V  V1  1  0.4869  0.0786  0.2117  1
  V  V2  1  0.5060  0.5066  0.6046  1
  V  V3  1  0.7676  0.8205  0.4335  1
  Tc  Tc4  1  0.0039  0.9753  0.8983  1
  Tc  Tc5  1  0.3135  0.2295  0.7519  1
  Ru  Ru6  1  0.0284  0.1463  0.3198  1
  Ru  Ru7  1  0.2236  0.8148  0.3648  1
  Ru  Ru8  1  0.3704  0.4208  0.1822  1
  Ru  Ru9  1  0.4567  0.8916  0.7814  1
  Ru  Ru10  1  0.6892  0.6918  0.0297  1
  Ru  Ru11  1  0.7569  0.1872  0.6436  1
  Ru  Ru12  1  0.8171  0.3382  0.0713  1
  Ru  Ru13  1  0.9466  0.5361  0.5247  1
]