data_Al2TlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   4.38
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlCu
_chemical_formula_sum   'Al2 Tl1 Cu1'
_cell_volume   78.77
_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  0.43  0.19  0.89  1.0
  Al  Al1  1  0.8  0.19  0.09  1.0
  Tl  Tl3  1  0.12  0.0  0.49  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Al2TlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.38
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlCu
_chemical_formula_sum   'Al2 Tl1 Cu1'
_cell_volume   78.77
_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  0.43  0.19  0.89  1.0
  Al  Al1  1  0.8  0.19  0.09  1.0
  Tl  Tl2  1  0.12  0.0  0.49  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Al Al Tl Cu