data_AlNiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   31.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiRh2
_chemical_formula_sum   'Al1 Ni1 Rh2'
_cell_volume   52.98
_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  0.0  0.0  0.73  1.0
  Ni  Ni1  1  0.0  0.0  0.11  1.0
  Rh  Rh2  1  0.0  0.0  0.83  1.0
  Rh  Rh3  1  0.0  0.0  0.6  1.0

data_AlNiRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   4.01
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlNiRh2
_chemical_formula_sum   'Al1 Ni1 Rh2'
_cell_volume   52.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.27  0.0  0.27  1.0
  Ni  Ni1  1  0.89  0.0  0.89  1.0
  Rh  Rh2  1  0.17  0.0  0.17  1.0
  Rh  Rh3  1  0.4  0.0  0.4  1.0

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