data_[Tb6In3Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4475]
_cell_length_b [3.4475]
_cell_length_c [31.7769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2InTc]
_chemical_formula_sum '[Tb6 In3 Tc3]'
_cell_volume [327.0817]
_cell_formula_units_Z [3]
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
[
  Tb  Tb0  6  0.0000  0.0000  0.1036  1
  In  In1  3  0.0000  0.0000  0.0000  1
  Tc  Tc2  3  -0.0000  -0.0000  0.5000  1
]