data_[Ta12Nb6Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0825]
_cell_length_b [4.6475]
_cell_length_c [9.8383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta6Nb3Tc]
_chemical_formula_sum '[Ta12 Nb6 Tc2]'
_cell_volume [356.4241]
_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  2  0.0494  0.7500  0.8917  1
  Ta  Ta1  2  0.1435  0.2500  0.6915  1
  Ta  Ta2  2  0.1498  0.7500  0.1979  1
  Ta  Ta3  2  0.2398  0.7500  0.5006  1
  Ta  Ta4  2  0.3434  0.2500  0.3052  1
  Ta  Ta5  2  0.4496  0.7500  0.1002  1
  Nb  Nb6  2  0.2455  0.2500  0.9990  1
  Nb  Nb7  2  0.3524  0.7500  0.8007  1
  Nb  Nb8  2  0.4548  0.2500  0.6022  1
  Tc  Tc9  2  0.0498  0.2500  0.4014  1
]