data_BaAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.77
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   92.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2Te
_chemical_formula_sum   'Ba1 Ag2 Te1'
_cell_volume   132.7
_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
  Ba  Ba2  1  0.17  0.39  0.08  1.0
  Ag  Ag0  1  0.6  0.39  0.13  1.0
  Ag  Ag1  1  0.47  0.0  0.48  1.0
  Te  Te3  1  0.88  0.0  0.35  1.0

data_BaAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.77
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   92.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2Te
_chemical_formula_sum   'Ba1 Ag2 Te1'
_cell_volume   132.7
_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
  Ba  Ba0  1  0.17  0.39  0.08  1.0
  Ag  Ag1  1  0.47  0.0  0.48  1.0
  Ag  Ag2  1  0.6  0.39  0.13  1.0
  Te  Te3  1  0.88  0.0  0.35  1.0

Ba Ag Ag Te
Ba Ag Ag Te 0 1 o o o 2 3 o o o 