data_AlTl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2In
_chemical_formula_sum   'Al1 Tl2 In1'
_cell_volume   105.12
_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  0.0  0.0  0.71  1.0
  Tl  Tl3  1  0.0  0.36  0.36  1.0
  In  In1  1  0.36  0.0  0.36  1.0

data_AlTl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.77
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2In
_chemical_formula_sum   'Al1 Tl2 In1'
_cell_volume   105.12
_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  0.01  0.36  0.01  1.0
  Tl  Tl2  1  0.29  0.0  0.29  1.0
  In  In3  1  0.64  0.0  0.01  1.0

Al Tl Tl In