data_TaNbSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   141.37
_cell_angle_beta   125.34
_cell_angle_gamma   68.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbSn2
_chemical_formula_sum   'Ta1 Nb1 Sn2'
_cell_volume   80.82
_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  0.0  0.0  0.49  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.5  0.25  1.0
  Sn  Sn2  1  0.8  0.0  0.24  1.0

data_TaNbSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.0
_cell_length_c   5.44
_cell_angle_alpha   117.33
_cell_angle_beta   109.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbSn2
_chemical_formula_sum   'Ta1 Nb1 Sn2'
_cell_volume   80.82
_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  0.49  0.49  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.24  0.44  1.0
  Sn  Sn3  1  0.5  0.75  0.75  1.0

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