data_NbAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   32.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgTe2
_chemical_formula_sum   'Nb1 Ag1 Te2'
_cell_volume   98.23
_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  Nb1  1  0.0  0.0  0.66  1.0
  Ag  Ag0  1  0.03  0.0  0.39  1.0
  Te  Te2  1  0.03  0.0  0.36  1.0
  Te  Te3  1  0.0  0.0  1.0  1.0

data_NbAgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.05
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgTe2
_chemical_formula_sum   'Nb1 Ag1 Te2'
_cell_volume   98.23
_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  0.34  0.0  0.34  1.0
  Ag  Ag1  1  0.61  0.03  0.61  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.64  0.03  0.64  1.0

Nb Ag Te Te
Nb Ag Te Te 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o - 2 3 o o - 