data_TeIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23
_cell_length_b   10.23
_cell_length_c   10.23
_cell_angle_alpha   16.84
_cell_angle_beta   16.84
_cell_angle_gamma   16.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIrAu2
_chemical_formula_sum   'Te1 Ir1 Au2'
_cell_volume   78.33
_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
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.12  1.0
  Au  Au0  1  0.0  0.0  0.97  1.0
  Au  Au1  1  0.0  0.0  0.27  1.0

data_TeIrAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   3.0
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeIrAu2
_chemical_formula_sum   'Te2 Ir2 Au4'
_cell_volume   156.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Te  Te0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  -0.0  0.0  0.88  1.0
  Au  Au2  2  -0.0  0.0  0.73  1.0
  Au  Au3  2  -0.0  0.0  0.03  1.0

Te Ir Au Au