data_[Tc6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9664]
_cell_length_b [3.1970]
_cell_length_c [6.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcTe]
_chemical_formula_sum '[Tc6 Te6]'
_cell_volume [292.8746]
_cell_formula_units_Z [6]
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
[
  Tc  Tc0  2  0.0796  0.5000  0.1665  1
  Tc  Tc1  2  0.4228  0.0000  0.3253  1
  Tc  Tc2  2  0.4429  0.5000  0.0168  1
  Te  Te3  2  0.0857  0.0000  0.4925  1
  Te  Te4  2  0.2713  0.5000  0.1481  1
  Te  Te5  2  0.3644  0.0000  0.6841  1
]