data_CdTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   10.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Se
_chemical_formula_sum   'Cd1 Tc2 Se1'
_cell_volume   73.32
_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  0.5  0.0  0.45  1.0
  Tc  Tc2  1  0.5  0.0  0.14  1.0
  Tc  Tc3  1  0.0  0.0  0.05  1.0
  Se  Se1  1  0.0  0.0  0.04  1.0

data_CdTc2Se
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.82
_cell_length_b   10.27
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   115.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CdTc2Se
_chemical_formula_sum   'Cd1 Tc2 Se1'
_cell_volume   73.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.55  0.0  1.0
  Tc  Tc1  1  0.0  0.86  0.0  1.0
  Tc  Tc2  1  0.5  0.95  0.0  1.0
  Se  Se3  1  0.5  0.96  0.0  1.0

Cd Tc Tc Se
Cd Tc Tc Se 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 1 3 o o o 1 3 + o o 1 2 o o o 1 2 + o o 2 3 o o o 