data_[Ta6Nb18Te36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.0370]
_cell_length_b [11.0370]
_cell_length_c [15.3546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ta(NbTe2)3]
_chemical_formula_sum '[Ta6 Nb18 Te36]'
_cell_volume [1619.8235]
_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
[
  Ta  Ta0  3  -0.0000  0.0000  0.5000  1
  Ta  Ta1  3  0.0000  0.0000  0.0000  1
  Nb  Nb2  18  0.0106  0.4411  0.3504  1
  Te  Te3  18  0.0168  0.1982  0.8708  1
  Te  Te4  18  0.0424  0.2027  0.3799  1
]