data_NbTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlTe2
_chemical_formula_sum   'Nb1 Tl1 Te2'
_cell_volume   102.43
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.23  0.0  0.0  1.0
  Te  Te1  1  0.61  0.09  0.9  1.0
  Te  Te2  1  0.61  0.91  0.9  1.0

data_NbTlTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   104.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlTe2
_chemical_formula_sum   'Nb1 Tl1 Te2'
_cell_volume   102.43
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  -0.0  0.23  0.0  1.0
  Te  Te2  1  0.9  0.61  0.09  1.0
  Te  Te3  1  0.9  0.61  0.91  1.0

Nb Tl Te Te