data_TiTlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlSn2
_chemical_formula_sum   'Ti1 Tl1 Sn2'
_cell_volume   96.07
_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  0.8  1.0
  Tl  Tl3  1  0.06  0.0  0.64  1.0
  Sn  Sn0  1  0.0  0.0  0.42  1.0
  Sn  Sn1  1  0.06  0.0  0.77  1.0

data_TiTlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlSn2
_chemical_formula_sum   'Ti1 Tl1 Sn2'
_cell_volume   96.07
_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  0.8  1.0
  Tl  Tl1  1  0.06  0.0  0.64  1.0
  Sn  Sn2  1  0.0  0.0  0.42  1.0
  Sn  Sn3  1  0.06  0.0  0.77  1.0

Ti Tl Sn Sn
Ti Tl Sn Sn 0 3 o o o 1 3 o o o 1 2 o o o 