data_In2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   7.13
_cell_angle_alpha   106.49
_cell_angle_beta   106.49
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TeAu
_chemical_formula_sum   'In2 Te1 Au1'
_cell_volume   107.1
_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  0.19  0.0  0.91  1.0
  In  In2  1  0.21  0.0  0.84  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.7  0.0  0.38  1.0

data_In2TeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.36
_cell_length_c   7.13
_cell_angle_alpha   106.49
_cell_angle_beta   90.0
_cell_angle_gamma   118.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TeAu
_chemical_formula_sum   'In2 Te1 Au1'
_cell_volume   107.1
_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  0.79  0.16  1.0
  In  In1  1  0.0  0.81  0.09  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.3  0.62  1.0

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