data_YAgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAgTe
_chemical_formula_sum   'Y1 Ag1 Te1'
_cell_volume   83.56
_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
  Y  Y2  1  0.0  0.0  0.49  1.0
  Ag  Ag0  1  1.0  0.5  0.04  1.0
  Te  Te1  1  0.17  0.25  0.61  1.0

data_YAgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAgTe
_chemical_formula_sum   'Y1 Ag1 Te1'
_cell_volume   83.56
_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
  Y  Y0  1  0.0  0.0  0.49  1.0
  Ag  Ag1  1  1.0  0.5  0.04  1.0
  Te  Te2  1  0.17  0.25  0.61  1.0

Y Ag Te
Y Ag Te 0 2 o o o 0 1 - - + 0 1 - - o 0 1 - o + 0 1 - o o 1 2 + o - 1 2 + o o 