data_TeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRh2
_chemical_formula_sum   'Te3 Rh6'
_cell_volume   153.76
_cell_formula_units_Z   3
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  Te6  1  0.0  0.96  0.89  1.0
  Te  Te7  1  0.43  0.98  0.89  1.0
  Te  Te8  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.82  0.0  0.89  1.0
  Rh  Rh1  1  0.09  0.58  0.89  1.0
  Rh  Rh2  1  0.52  0.37  0.89  1.0
  Rh  Rh3  1  0.19  0.0  0.0  1.0
  Rh  Rh4  1  0.91  0.63  0.0  1.0
  Rh  Rh5  1  0.34  0.31  0.0  1.0

data_TeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRh2
_chemical_formula_sum   'Te3 Rh6'
_cell_volume   153.76
_cell_formula_units_Z   3
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  Te0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.89  0.0  0.96  1.0
  Te  Te2  1  0.89  0.43  0.98  1.0
  Rh  Rh3  1  -0.0  0.91  0.63  1.0
  Rh  Rh4  1  -0.0  0.34  0.31  1.0
  Rh  Rh5  1  -0.0  0.19  0.0  1.0
  Rh  Rh6  1  0.89  0.09  0.58  1.0
  Rh  Rh7  1  0.89  0.52  0.37  1.0
  Rh  Rh8  1  0.89  0.82  0.0  1.0

Te Te Te Rh Rh Rh Rh Rh Rh
Te Te Te Rh Rh Rh Rh Rh Rh 0 2 o + + 0 3 - + o 0 6 o + + 1 6 o + + 2 3 - o - 2 6 o o o 4 7 - o + 5 8 o o + 