data_NbAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.59
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Te
_chemical_formula_sum   'Nb1 Ag2 Te1'
_cell_volume   80.84
_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  Nb2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.53  0.3  0.42  1.0
  Ag  Ag1  1  0.53  0.3  0.34  1.0
  Te  Te3  1  0.0  0.0  0.88  1.0

data_NbAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.59
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Te
_chemical_formula_sum   'Nb1 Ag2 Te1'
_cell_volume   80.84
_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
  Ag  Ag1  1  0.53  0.3  0.34  1.0
  Ag  Ag2  1  0.53  0.3  0.42  1.0
  Te  Te3  1  0.0  0.0  0.88  1.0

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