data_TiTlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.92
_cell_angle_alpha   103.89
_cell_angle_beta   103.89
_cell_angle_gamma   42.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlNi2
_chemical_formula_sum   'Ti1 Tl1 Ni2'
_cell_volume   61.78
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.45  0.0  0.38  1.0
  Ni  Ni0  1  0.78  0.0  0.92  1.0
  Ni  Ni1  1  0.13  0.0  0.84  1.0

data_TiTlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.38
_cell_length_c   4.92
_cell_angle_alpha   103.89
_cell_angle_beta   90.0
_cell_angle_gamma   111.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlNi2
_chemical_formula_sum   'Ti1 Tl1 Ni2'
_cell_volume   61.78
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.55  0.62  1.0
  Ni  Ni2  1  0.0  0.22  0.08  1.0
  Ni  Ni3  1  0.0  0.87  0.16  1.0

Ti Tl Ni Ni