data_Cd2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   139.38
_cell_angle_beta   139.38
_cell_angle_gamma   58.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcP
_chemical_formula_sum   'Cd2 Tc1 P1'
_cell_volume   69.24
_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  0.9  0.39  1.0
  Cd  Cd1  1  0.9  0.0  0.39  1.0
  Tc  Tc3  1  0.0  0.0  0.78  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Cd2TcP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   119.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2TcP
_chemical_formula_sum   'Cd4 Tc2 P2'
_cell_volume   138.48
_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
  Cd  Cd0  4  0.45  0.45  0.51  1.0
  Tc  Tc1  2  0.0  0.0  0.22  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Cd Cd Tc P