data_TaNbSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.43
_cell_angle_alpha   100.21
_cell_angle_beta   100.21
_cell_angle_gamma   35.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbSn2
_chemical_formula_sum   'Ta1 Nb1 Sn2'
_cell_volume   81.03
_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  Ta3  1  0.37  0.0  0.67  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.68  0.0  1.0  1.0
  Sn  Sn2  1  0.05  0.0  0.33  1.0

data_TaNbSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.11
_cell_length_c   5.43
_cell_angle_alpha   100.21
_cell_angle_beta   90.0
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbSn2
_chemical_formula_sum   'Ta1 Nb1 Sn2'
_cell_volume   81.03
_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  0.0  0.63  0.33  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.32  0.0  1.0
  Sn  Sn3  1  0.0  0.95  0.67  1.0

Ta Nb Sn Sn
Ta Nb Sn Sn 0 3 o o o 0 2 o o o 1 2 - o - 1 3 o o o 