data_CdTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.56
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2P
_chemical_formula_sum   'Cd1 Tc2 P1'
_cell_volume   63.12
_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  0.41  0.0  0.96  1.0
  Tc  Tc2  1  0.81  0.78  0.19  1.0
  Tc  Tc3  1  1.0  0.78  0.72  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_CdTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.56
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2P
_chemical_formula_sum   'Cd1 Tc2 P1'
_cell_volume   63.12
_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  0.41  0.0  0.96  1.0
  Tc  Tc1  1  0.81  0.78  0.19  1.0
  Tc  Tc2  1  1.0  0.78  0.72  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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