data_Tc3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   135.45
_cell_angle_beta   135.45
_cell_angle_gamma   64.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Sn
_chemical_formula_sum   'Tc3 Sn1'
_cell_volume   63.55
_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
  Tc  Tc1  1  0.0  0.92  0.14  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.92  0.0  0.14  1.0
  Sn  Sn0  1  0.0  0.0  0.29  1.0

data_Tc3Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   122.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc3Sn
_chemical_formula_sum   'Tc6 Sn2'
_cell_volume   127.09
_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
  Tc  Tc0  4  0.32  0.46  0.78  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.21  0.5  0.71  1.0

Tc Tc Tc Sn