data_Al2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.24
_cell_angle_alpha   97.78
_cell_angle_beta   97.78
_cell_angle_gamma   41.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlRh
_chemical_formula_sum   'Al2 Tl1 Rh1'
_cell_volume   75.03
_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  0.94  0.0  0.91  1.0
  Al  Al1  1  0.55  0.0  0.64  1.0
  Tl  Tl3  1  0.44  0.0  0.29  1.0
  Rh  Rh2  1  0.06  0.0  0.12  1.0

data_Al2TlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.68
_cell_length_c   5.24
_cell_angle_alpha   97.78
_cell_angle_beta   90.0
_cell_angle_gamma   110.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlRh
_chemical_formula_sum   'Al2 Tl1 Rh1'
_cell_volume   75.03
_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  0.06  0.09  1.0
  Al  Al1  1  0.0  0.45  0.36  1.0
  Tl  Tl2  1  0.0  0.56  0.71  1.0
  Rh  Rh3  1  0.0  0.94  0.88  1.0

Al Al Tl Rh