data_AlCrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.77
_cell_angle_alpha   101.94
_cell_angle_beta   101.94
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrRh2
_chemical_formula_sum   'Al1 Cr1 Rh2'
_cell_volume   55.83
_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  0.0  1.0
  Cr  Cr1  1  0.75  0.0  0.33  1.0
  Rh  Rh2  1  0.14  0.0  0.18  1.0
  Rh  Rh3  1  0.37  0.0  0.48  1.0

data_AlCrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.5
_cell_length_c   4.77
_cell_angle_alpha   101.94
_cell_angle_beta   90.0
_cell_angle_gamma   108.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrRh2
_chemical_formula_sum   'Al1 Cr1 Rh2'
_cell_volume   55.83
_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  0.0  1.0
  Cr  Cr1  1  0.0  0.25  0.67  1.0
  Rh  Rh2  1  0.0  0.63  0.52  1.0
  Rh  Rh3  1  0.0  0.86  0.82  1.0

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