data_[Ti2Nb2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4795]
_cell_length_b [4.4795]
_cell_length_c [5.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TiNbTc]
_chemical_formula_sum '[Ti2 Nb2 Tc2]'
_cell_volume [97.1860]
_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
[
  Ti  Ti0  1  0.0000  0.0000  0.0000  1
  Ti  Ti1  1  0.0000  0.0000  0.5000  1
  Nb  Nb2  2  0.3333  0.6667  0.3218  1
  Tc  Tc3  2  0.3333  0.6667  0.8285  1
]