data_[Ta12Tc2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6113]
_cell_length_b [4.3839]
_cell_length_c [6.7697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta6TcRu5]
_chemical_formula_sum '[Ta12 Tc2 Ru10]'
_cell_volume [385.4010]
_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
[
  Ta  Ta0  4  0.0165  0.5000  0.7699  1
  Ta  Ta1  4  0.1607  0.0000  0.4085  1
  Ta  Ta2  4  0.1770  0.0000  0.9264  1
  Tc  Tc3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  4  0.1647  0.5000  0.6391  1
  Ru  Ru5  4  0.1689  0.5000  0.1943  1
  Ru  Ru6  2  0.0000  0.0000  0.5000  1
]