data_Tl2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.43
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiSn
_chemical_formula_sum   'Tl2 Ni1 Sn1'
_cell_volume   100.3
_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
  Tl  Tl2  1  0.65  0.0  0.32  1.0
  Tl  Tl3  1  0.0  0.71  0.55  1.0
  Ni  Ni0  1  0.97  0.0  0.76  1.0
  Sn  Sn1  1  0.27  0.71  0.76  1.0

data_Tl2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.43
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiSn
_chemical_formula_sum   'Tl2 Ni1 Sn1'
_cell_volume   100.3
_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
  Tl  Tl0  1  0.0  0.71  0.55  1.0
  Tl  Tl1  1  0.65  0.0  0.32  1.0
  Ni  Ni2  1  0.97  0.0  0.76  1.0
  Sn  Sn3  1  0.27  0.71  0.76  1.0

Tl Tl Ni Sn