data_AlTl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.9
_cell_angle_alpha   106.04
_cell_angle_beta   106.04
_cell_angle_gamma   41.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Ni
_chemical_formula_sum   'Al1 Tl2 Ni1'
_cell_volume   89.47
_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  0.47  0.0  0.15  1.0
  Tl  Tl2  1  0.88  0.0  0.25  1.0
  Tl  Tl3  1  0.82  0.0  0.96  1.0
  Ni  Ni1  1  0.0  0.0  0.1  1.0

data_AlTl2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.54
_cell_length_c   6.9
_cell_angle_alpha   106.04
_cell_angle_beta   90.0
_cell_angle_gamma   110.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Ni
_chemical_formula_sum   'Al1 Tl2 Ni1'
_cell_volume   89.47
_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  0.53  0.85  1.0
  Tl  Tl1  1  0.0  0.12  0.75  1.0
  Tl  Tl2  1  0.0  0.18  0.04  1.0
  Ni  Ni3  1  0.0  1.0  0.9  1.0

Al Tl Tl Ni