data_CdTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Sn
_chemical_formula_sum   'Cd1 Tc2 Sn1'
_cell_volume   80.39
_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
  Cd  Cd0  1  0.0  0.0  0.14  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.01  0.0  0.51  1.0
  Sn  Sn1  1  0.01  0.0  0.9  1.0

data_CdTc2Sn
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.02
_cell_length_b   4.24
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   CdTc2Sn
_chemical_formula_sum   'Cd2 Tc4 Sn2'
_cell_volume   160.78
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Cd  Cd0  2  0.0  0.0  0.86  1.0
  Tc  Tc1  2  0.0  0.0  0.49  1.0
  Tc  Tc2  2  0.0  0.0  1.0  1.0
  Sn  Sn3  2  0.0  0.0  0.1  1.0

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