data_Al2TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.13
_cell_angle_alpha   95.99
_cell_angle_beta   95.99
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlW
_chemical_formula_sum   'Al2 Tl1 W1'
_cell_volume   72.58
_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  0.16  0.0  1.0  1.0
  Al  Al1  1  0.06  0.0  0.1  1.0
  Tl  Tl2  1  0.61  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Al2TlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.1
_cell_length_c   5.13
_cell_angle_alpha   95.99
_cell_angle_beta   90.0
_cell_angle_gamma   106.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlW
_chemical_formula_sum   'Al2 Tl1 W1'
_cell_volume   72.58
_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  0.84  0.0  1.0
  Al  Al1  1  0.0  0.94  0.9  1.0
  Tl  Tl2  1  0.0  0.39  0.45  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Al Al Tl W