data_Ta2TlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlSn
_chemical_formula_sum   'Ta2 Tl1 Sn1'
_cell_volume   82.49
_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  Ta1  1  0.73  0.0  0.3  1.0
  Ta  Ta2  1  0.73  0.0  0.16  1.0
  Tl  Tl3  1  0.0  0.0  0.73  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0

data_Ta2TlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlSn
_chemical_formula_sum   'Ta2 Tl1 Sn1'
_cell_volume   82.49
_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  0.73  0.0  0.16  1.0
  Ta  Ta1  1  0.73  0.0  0.3  1.0
  Tl  Tl2  1  0.0  0.0  0.73  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Ta Ta Tl Sn
Ta Ta Tl Sn 0 1 o o o 1 3 + o o 2 2 o + o 2 2 + o o 2 3 o o + 