data_Ag2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.54
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   93.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2TeSe
_chemical_formula_sum   'Ag2 Te1 Se1'
_cell_volume   97.56
_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
  Ag  Ag0  1  0.37  0.0  0.39  1.0
  Ag  Ag1  1  0.89  0.27  0.51  1.0
  Te  Te3  1  0.83  0.27  0.69  1.0
  Se  Se2  1  0.81  0.0  0.9  1.0

data_Ag2TeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.54
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   93.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2TeSe
_chemical_formula_sum   'Ag2 Te1 Se1'
_cell_volume   97.56
_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
  Ag  Ag0  1  0.37  0.0  0.39  1.0
  Ag  Ag1  1  0.89  0.27  0.51  1.0
  Te  Te2  1  0.83  0.27  0.69  1.0
  Se  Se3  1  0.81  0.0  0.9  1.0

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