data_Te2RhAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2RhAu
_chemical_formula_sum   'Te2 Rh1 Au1'
_cell_volume   84.18
_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  Te2  1  0.0  0.43  0.78  1.0
  Te  Te3  1  0.43  0.0  0.78  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.43  0.43  0.0  1.0

data_Te2RhAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2RhAu
_chemical_formula_sum   'Te4 Rh2 Au2'
_cell_volume   168.35
_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  4  0.21  0.21  0.78  1.0
  Rh  Rh1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.43  0.0  0.0  1.0

Te Te Rh Au
Te Te Rh Au 0 2 o o + 0 3 o o + 1 2 o o + 1 3 o o + 