data_BaAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgTe2
_chemical_formula_sum   'Ba1 Ag1 Te2'
_cell_volume   145.01
_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  Ba1  1  0.88  0.0  0.68  1.0
  Ag  Ag0  1  0.0  0.0  0.5  1.0
  Te  Te2  1  0.0  0.0  0.09  1.0
  Te  Te3  1  0.88  0.0  0.14  1.0

data_BaAgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgTe2
_chemical_formula_sum   'Ba1 Ag1 Te2'
_cell_volume   145.01
_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  0.88  0.0  0.68  1.0
  Ag  Ag1  1  0.0  0.0  0.5  1.0
  Te  Te2  1  0.0  0.0  0.09  1.0
  Te  Te3  1  0.88  0.0  0.14  1.0

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