data_InTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.6
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTeAu2
_chemical_formula_sum   'In1 Te1 Au2'
_cell_volume   95.42
_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  In2  1  0.49  0.0  0.29  1.0
  Te  Te3  1  0.66  0.3  0.07  1.0
  Au  Au0  1  0.4  0.0  0.08  1.0
  Au  Au1  1  0.89  0.3  0.31  1.0

data_InTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.6
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTeAu2
_chemical_formula_sum   'In1 Te1 Au2'
_cell_volume   95.42
_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  0.49  0.0  0.29  1.0
  Te  Te1  1  0.66  0.3  0.07  1.0
  Au  Au2  1  0.4  0.0  0.08  1.0
  Au  Au3  1  0.89  0.3  0.31  1.0

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