data_[Ba4Tl2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8643]
_cell_length_b [4.9097]
_cell_length_c [12.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2TlTc]
_chemical_formula_sum '[Ba4 Tl2 Tc2]'
_cell_volume [299.0656]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.1108  1
  Ba  Ba1  2  0.5000  0.0000  0.3950  1
  Tl  Tl2  2  0.5000  0.0000  0.6937  1
  Tc  Tc3  2  0.0000  0.0000  0.7995  1
]