data_AlTlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.15
_cell_angle_alpha   96.63
_cell_angle_beta   96.63
_cell_angle_gamma   32.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlW2
_chemical_formula_sum   'Al1 Tl1 W2'
_cell_volume   70.65
_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  0.6  0.0  0.59  1.0
  Tl  Tl1  1  0.12  0.0  0.32  1.0
  W  W2  1  0.07  0.0  0.0  1.0
  W  W3  1  0.9  0.0  0.87  1.0

data_AlTlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.05
_cell_length_c   5.15
_cell_angle_alpha   96.63
_cell_angle_beta   90.0
_cell_angle_gamma   106.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlW2
_chemical_formula_sum   'Al1 Tl1 W2'
_cell_volume   70.65
_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  0.4  0.41  1.0
  Tl  Tl1  1  0.0  0.88  0.68  1.0
  W  W2  1  0.0  0.1  0.13  1.0
  W  W3  1  0.0  0.93  1.0  1.0

Al Tl W W
Al Tl W W 0 3 o o o 1 2 o o o 2 3 - o - 