data_ZrRe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2Rh
_chemical_formula_sum   'Zr1 Re2 Rh1'
_cell_volume   64.8
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.39  0.08  0.41  1.0
  Re  Re1  1  0.39  0.92  0.41  1.0
  Rh  Rh2  1  0.77  0.0  0.0  1.0

data_ZrRe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   112.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2Rh
_chemical_formula_sum   'Zr1 Re2 Rh1'
_cell_volume   64.8
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.41  0.39  0.92  1.0
  Re  Re2  1  0.41  0.39  0.08  1.0
  Rh  Rh3  1  -0.0  0.77  0.0  1.0

Zr Re Re Rh
Zr Re Re Rh 0 3 - o o 1 2 o - o 