data_[Nb4Tc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0023]
_cell_length_b [7.1588]
_cell_length_c [10.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb2TcTe6]
_chemical_formula_sum '[Nb4 Tc2 Te12]'
_cell_volume [440.8330]
_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
[
  Nb  Nb0  4  0.2593  0.1400  0.7457  1
  Tc  Tc1  2  0.5000  0.0000  0.5000  1
  Te  Te2  4  0.1027  0.0005  0.2389  1
  Te  Te3  4  0.1901  0.6681  0.0533  1
  Te  Te4  4  0.4132  0.1599  0.0730  1
]