data_AlTl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   137.71
_cell_angle_beta   137.71
_cell_angle_gamma   61.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cu
_chemical_formula_sum   'Al1 Tl2 Cu1'
_cell_volume   88.97
_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  0.0  0.0  0.02  1.0
  Tl  Tl3  1  0.0  0.11  0.51  1.0
  Cu  Cu1  1  0.11  0.0  0.51  1.0

data_AlTl2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.84
_cell_angle_alpha   111.15
_cell_angle_beta   111.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cu
_chemical_formula_sum   'Al1 Tl2 Cu1'
_cell_volume   88.97
_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  0.02  0.02  0.02  1.0
  Tl  Tl2  1  0.4  0.51  0.4  1.0
  Cu  Cu3  1  0.51  0.4  0.4  1.0

Al Tl Tl Cu