data_[Ta12Nb2Tc10]
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 [Immm]
_cell_length_a [4.5301]
_cell_length_b [6.4074]
_cell_length_c [13.6228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta6NbTc5]
_chemical_formula_sum '[Ta12 Nb2 Tc10]'
_cell_volume [395.4156]
_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  8  0.0000  0.2516  0.1682  1
  Ta  Ta1  4  0.0000  0.2464  0.5000  1
  Nb  Nb2  2  0.0000  0.0000  0.0000  1
  Tc  Tc3  4  0.0000  0.0000  0.3333  1
  Tc  Tc4  4  0.0000  0.5000  0.3317  1
  Tc  Tc5  2  0.0000  0.5000  0.0000  1
]