data_In2AgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.08
_cell_angle_alpha   109.84
_cell_angle_beta   109.84
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgTe
_chemical_formula_sum   'In2 Ag1 Te1'
_cell_volume   103.98
_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
  In  In1  1  0.1  0.0  0.67  1.0
  In  In2  1  0.77  0.0  0.08  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.43  0.0  0.38  1.0

data_In2AgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.08
_cell_length_c   6.56
_cell_angle_alpha   109.84
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgTe
_chemical_formula_sum   'In2 Ag1 Te1'
_cell_volume   103.98
_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
  In  In0  1  0.0  0.08  0.77  1.0
  In  In1  1  0.0  0.67  0.1  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.38  0.43  1.0

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