data_AlTl2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   3.3
_cell_angle_alpha   99.12
_cell_angle_beta   99.12
_cell_angle_gamma   113.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Hg
_chemical_formula_sum   'Al1 Tl2 Hg1'
_cell_volume   106.16
_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  0.19  0.47  0.58  1.0
  Tl  Tl3  1  0.19  0.53  0.58  1.0
  Hg  Hg1  1  0.33  0.0  0.0  1.0

data_AlTl2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   113.24
_cell_angle_beta   99.12
_cell_angle_gamma   99.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Hg
_chemical_formula_sum   'Al1 Tl2 Hg1'
_cell_volume   106.16
_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  0.58  0.19  0.47  1.0
  Tl  Tl2  1  0.58  0.19  0.53  1.0
  Hg  Hg3  1  -0.0  0.33  0.0  1.0

Al Tl Tl Hg