data_TaSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn4
_chemical_formula_sum   'Ta4 Sn16'
_cell_volume   539.41
_cell_formula_units_Z   4
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  Ta16  1  0.69  0.69  0.69  1.0
  Ta  Ta17  1  0.56  0.44  0.44  1.0
  Ta  Ta18  1  0.44  0.56  0.44  1.0
  Ta  Ta19  1  0.44  0.44  0.56  1.0
  Sn  Sn0  1  0.33  0.33  0.33  1.0
  Sn  Sn1  1  0.2  0.8  0.8  1.0
  Sn  Sn2  1  0.8  0.2  0.8  1.0
  Sn  Sn3  1  0.8  0.8  0.2  1.0
  Sn  Sn4  1  0.0  0.0  0.02  1.0
  Sn  Sn5  1  0.0  0.0  0.24  1.0
  Sn  Sn6  1  0.0  0.02  0.0  1.0
  Sn  Sn7  1  0.0  0.24  0.0  1.0
  Sn  Sn8  1  0.02  0.0  0.0  1.0
  Sn  Sn9  1  0.24  0.0  0.0  1.0
  Sn  Sn10  1  0.13  0.0  0.56  1.0
  Sn  Sn11  1  0.0  0.13  0.56  1.0
  Sn  Sn12  1  0.0  0.56  0.13  1.0
  Sn  Sn13  1  0.13  0.56  0.0  1.0
  Sn  Sn14  1  0.56  0.13  0.0  1.0
  Sn  Sn15  1  0.56  0.0  0.13  1.0

data_TaSn4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.5
_cell_length_b   14.5
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaSn4
_chemical_formula_sum   'Ta12 Sn48'
_cell_volume   1618.22
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.08  0.04  0.48  1.0
  Ta  Ta1  3  0.0  0.0  0.69  1.0
  Sn  Sn2  18  0.0  0.44  0.56  1.0
  Sn  Sn3  9  0.01  0.01  0.01  1.0
  Sn  Sn4  9  0.16  0.08  0.08  1.0
  Sn  Sn5  9  0.2  0.8  0.6  1.0
  Sn  Sn6  3  0.0  0.0  0.33  1.0

Ta Ta Ta Ta Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn