data_TlNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.48
_cell_angle_alpha   101.63
_cell_angle_beta   101.63
_cell_angle_gamma   36.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Sn
_chemical_formula_sum   'Tl1 Ni2 Sn1'
_cell_volume   68.56
_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  Tl3  1  0.76  0.0  0.56  1.0
  Ni  Ni0  1  0.15  0.0  0.18  1.0
  Ni  Ni1  1  0.03  0.0  0.31  1.0
  Sn  Sn2  1  0.39  0.0  0.89  1.0

data_TlNi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.48
_cell_length_c   5.15
_cell_angle_alpha   101.63
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Sn
_chemical_formula_sum   'Tl1 Ni2 Sn1'
_cell_volume   68.56
_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  0.56  0.76  1.0
  Ni  Ni1  1  0.0  0.18  0.15  1.0
  Ni  Ni2  1  0.0  0.31  0.03  1.0
  Sn  Sn3  1  0.0  0.89  0.39  1.0

Tl Ni Ni Sn