data_Zr2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   21.4
_cell_angle_beta   21.4
_cell_angle_gamma   21.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReRh
_chemical_formula_sum   'Zr2 Re1 Rh1'
_cell_volume   74.3
_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  Zr2  1  0.0  0.0  0.29  1.0
  Zr  Zr3  1  0.0  0.0  0.92  1.0
  Re  Re0  1  0.0  0.0  0.61  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Zr2ReRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.2
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2ReRh
_chemical_formula_sum   'Zr4 Re2 Rh2'
_cell_volume   148.59
_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
  Zr  Zr0  2  -0.0  0.0  0.71  1.0
  Zr  Zr1  2  -0.0  0.0  0.08  1.0
  Re  Re2  2  -0.0  0.0  0.39  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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