data_AlTl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cu
_chemical_formula_sum   'Al1 Tl2 Cu1'
_cell_volume   88.56
_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
  Tl  Tl2  1  0.62  0.04  0.75  1.0
  Tl  Tl3  1  0.62  0.96  0.75  1.0
  Cu  Cu1  1  0.23  0.0  0.0  1.0

data_AlTl2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   100.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cu
_chemical_formula_sum   'Al1 Tl2 Cu1'
_cell_volume   88.56
_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
  Tl  Tl1  1  0.75  0.62  0.04  1.0
  Tl  Tl2  1  0.75  0.62  0.96  1.0
  Cu  Cu3  1  -0.0  0.23  0.0  1.0

Al Tl Tl Cu