data_[Nb14Tc4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5172]
_cell_length_b [21.9559]
_cell_length_c [4.3972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nb7Tc2Ru3]
_chemical_formula_sum '[Nb14 Tc4 Ru6]'
_cell_volume [436.1154]
_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  0.0000  0.0793  0.5000  1
  Nb  Nb1  4  0.0000  0.2875  0.0000  1
  Nb  Nb2  4  0.0000  0.4271  0.0000  1
  Nb  Nb3  2  0.0000  0.0000  0.0000  1
  Tc  Tc4  4  0.0000  0.1489  0.0000  1
  Ru  Ru5  4  0.0000  0.3525  0.5000  1
  Ru  Ru6  2  0.0000  0.5000  0.5000  1
]