data_Ta2TiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   139.81
_cell_angle_beta   128.72
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiTl
_chemical_formula_sum   'Ta2 Ti1 Tl1'
_cell_volume   75.91
_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
  Ta  Ta0  1  0.0  0.0  0.83  1.0
  Ta  Ta1  1  0.0  0.32  0.22  1.0
  Ti  Ti2  1  0.0  0.0  0.53  1.0
  Tl  Tl3  1  0.84  0.0  0.25  1.0

data_Ta2TiTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.63
_cell_length_c   5.35
_cell_angle_alpha   115.64
_cell_angle_beta   110.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiTl
_chemical_formula_sum   'Ta2 Ti1 Tl1'
_cell_volume   75.91
_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
  Ta  Ta0  1  0.0  0.83  0.83  1.0
  Ta  Ta1  1  0.68  0.91  0.91  1.0
  Ti  Ti2  1  0.0  0.53  0.53  1.0
  Tl  Tl3  1  0.0  0.25  0.41  1.0

Ta Ta Ti Tl