data_TaTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Sn
_chemical_formula_sum   'Ta1 Tc2 Sn1'
_cell_volume   68.72
_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  0.48  0.48  0.04  1.0
  Tc  Tc2  1  0.0  0.0  0.18  1.0
  Tc  Tc3  1  0.48  0.48  0.74  1.0
  Sn  Sn0  1  0.0  0.0  0.78  1.0

data_TaTc2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTc2Sn
_chemical_formula_sum   'Ta2 Tc4 Sn2'
_cell_volume   137.43
_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  0.48  0.0  0.04  1.0
  Tc  Tc1  2  0.0  0.0  0.18  1.0
  Tc  Tc2  2  0.48  0.0  0.74  1.0
  Sn  Sn3  2  0.0  0.0  0.78  1.0

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