data_AgTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.6
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   91.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTeBr2
_chemical_formula_sum   'Ag1 Te1 Br2'
_cell_volume   109.27
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  1.0  0.0  0.84  1.0
  Br  Br1  1  0.1  0.3  0.42  1.0
  Br  Br2  1  0.9  0.3  0.26  1.0

data_AgTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.6
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   91.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTeBr2
_chemical_formula_sum   'Ag1 Te1 Br2'
_cell_volume   109.27
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  1.0  0.0  0.84  1.0
  Br  Br2  1  0.1  0.3  0.42  1.0
  Br  Br3  1  0.9  0.3  0.26  1.0

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