data_ZrRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   9.34
_cell_length_c   9.34
_cell_angle_alpha   17.33
_cell_angle_beta   17.33
_cell_angle_gamma   17.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRuRh2
_chemical_formula_sum   'Zr1 Ru1 Rh2'
_cell_volume   63.05
_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
  Ru  Ru2  1  0.0  0.0  0.8  1.0
  Rh  Rh0  1  0.0  0.0  0.76  1.0
  Rh  Rh1  1  0.0  0.0  0.83  1.0

data_ZrRuRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrRuRh2
_chemical_formula_sum   'Zr2 Ru2 Rh4'
_cell_volume   126.1
_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  0.0  1.0
  Ru  Ru1  2  -0.0  0.0  0.2  1.0
  Rh  Rh2  2  -0.0  0.0  0.17  1.0
  Rh  Rh3  2  -0.0  0.0  0.24  1.0

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