data_ZrMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2Rh
_chemical_formula_sum   'Zr1 Mo2 Rh1'
_cell_volume   67.33
_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  0.25  1.0
  Mo  Mo0  1  0.64  0.0  0.68  1.0
  Mo  Mo1  1  0.0  0.0  0.6  1.0
  Rh  Rh2  1  0.64  0.0  0.51  1.0

data_ZrMo2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2Rh
_chemical_formula_sum   'Zr1 Mo2 Rh1'
_cell_volume   67.33
_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  0.25  1.0
  Mo  Mo1  1  0.0  0.0  0.6  1.0
  Mo  Mo2  1  0.64  0.0  0.68  1.0
  Rh  Rh3  1  0.64  0.0  0.51  1.0

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