data_Al2TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   132.99
_cell_angle_beta   132.99
_cell_angle_gamma   68.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlPt
_chemical_formula_sum   'Al2 Tl1 Pt1'
_cell_volume   73.23
_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
  Al  Al1  1  0.07  0.0  0.14  1.0
  Tl  Tl3  1  0.0  0.07  0.14  1.0
  Pt  Pt2  1  0.0  0.0  0.28  1.0

data_Al2TlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.18
_cell_angle_alpha   113.5
_cell_angle_beta   113.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlPt
_chemical_formula_sum   'Al2 Tl1 Pt1'
_cell_volume   73.23
_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
  Al  Al1  1  0.86  0.0  0.93  1.0
  Tl  Tl2  1  0.93  0.07  0.93  1.0
  Pt  Pt3  1  0.72  0.0  0.72  1.0

Al Al Tl Pt