data_Re2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   2.97
_cell_angle_alpha   100.41
_cell_angle_beta   100.41
_cell_angle_gamma   119.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeRh
_chemical_formula_sum   'Re2 Te1 Rh1'
_cell_volume   67.12
_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
  Re  Re0  1  0.8  0.72  0.39  1.0
  Re  Re1  1  0.8  0.28  0.39  1.0
  Te  Te3  1  0.66  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Re2TeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.07
_cell_length_c   5.27
_cell_angle_alpha   114.97
_cell_angle_beta   100.41
_cell_angle_gamma   102.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeRh
_chemical_formula_sum   'Re2 Te1 Rh1'
_cell_volume   67.12
_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
  Re  Re0  1  0.11  0.72  0.52  1.0
  Re  Re1  1  0.66  0.28  0.07  1.0
  Te  Te2  1  0.0  0.0  0.66  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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