data_[Ba1Nb1Tl1Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0534]
_cell_length_b [5.0534]
_cell_length_c [5.2569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BaNbTlTc2]
_chemical_formula_sum '[Ba1 Nb1 Tl1 Tc2]'
_cell_volume [134.2435]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Nb  Nb1  1  0.0000  0.0000  0.5000  1
  Tl  Tl2  1  0.5000  0.5000  0.5000  1
  Tc  Tc3  2  0.0000  0.5000  0.0000  1
]