data_Al2NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   128.72
_cell_angle_beta   126.52
_cell_angle_gamma   77.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiRh
_chemical_formula_sum   'Al2 Ni1 Rh1'
_cell_volume   51.6
_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
  Al  Al0  1  0.9  0.0  0.62  1.0
  Al  Al1  1  0.0  0.98  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.43  1.0

data_Al2NiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.95
_cell_length_c   4.39
_cell_angle_alpha   116.74
_cell_angle_beta   115.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiRh
_chemical_formula_sum   'Al2 Ni1 Rh1'
_cell_volume   51.6
_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
  Al  Al0  1  0.19  0.17  0.17  1.0
  Al  Al1  1  0.28  0.38  0.28  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.57  0.57  0.57  1.0

Al Al Ni Rh
Al Al Ni Rh 0 1 + - o 0 3 + o o 1 2 o + + 