data_TaInSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.31
_cell_length_b   11.31
_cell_length_c   11.31
_cell_angle_alpha   16.12
_cell_angle_beta   16.12
_cell_angle_gamma   16.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInSn2
_chemical_formula_sum   'Ta1 In1 Sn2'
_cell_volume   97.2
_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  0.74  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.47  1.0
  Sn  Sn2  1  0.0  0.0  0.01  1.0

data_TaInSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   99.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInSn2
_chemical_formula_sum   'Ta2 In2 Sn4'
_cell_volume   194.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.26  1.0
  In  In1  2  -0.0  0.0  0.0  1.0
  Sn  Sn2  2  -0.0  0.0  0.53  1.0
  Sn  Sn3  2  -0.0  0.0  0.99  1.0

Ta In Sn Sn
Ta In Sn Sn 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 3 o o + 0 1 o o + 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 