data_[Nb4Al2Si4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7071]
_cell_length_b [9.7071]
_cell_length_c [3.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Nb2AlSi2Ru5]
_chemical_formula_sum '[Nb4 Al2 Si4 Ru10]'
_cell_volume [291.6901]
_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
[
  Nb  Nb0  4  0.1744  0.6744  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1293  0.3707  0.0000  1.0
  Ru  Ru3  8  0.0629  0.2046  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]