data_Al2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   8.3
_cell_angle_alpha   19.64
_cell_angle_beta   19.64
_cell_angle_gamma   19.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuRh
_chemical_formula_sum   'Al2 Cu1 Rh1'
_cell_volume   56.53
_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  0.08  1.0
  Al  Al1  1  0.0  0.0  0.34  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.21  1.0

data_Al2CuRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   101.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CuRh
_chemical_formula_sum   'Al4 Cu2 Rh2'
_cell_volume   113.05
_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
  Al  Al0  2  0.0  0.0  0.66  1.0
  Al  Al1  2  0.0  0.0  0.92  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Rh  Rh3  2  0.0  0.0  0.79  1.0

Al Al Cu Rh
Al Al Cu Rh 0 2 o o o 0 3 o o o 1 3 o o o 