data_Cd2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.86
_cell_angle_alpha   113.7
_cell_angle_beta   113.7
_cell_angle_gamma   46.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcP
_chemical_formula_sum   'Cd2 Tc1 P1'
_cell_volume   73.93
_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  0.09  0.0  0.08  1.0
  Cd  Cd1  1  0.83  0.0  0.82  1.0
  Tc  Tc3  1  0.41  0.0  0.11  1.0
  P  P2  1  0.93  0.0  0.9  1.0

data_Cd2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.39
_cell_length_c   5.74
_cell_angle_alpha   69.22
_cell_angle_beta   72.39
_cell_angle_gamma   66.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcP
_chemical_formula_sum   'Cd2 Tc1 P1'
_cell_volume   73.93
_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  0.01  0.08  1.0
  Cd  Cd1  1  0.0  0.01  0.82  1.0
  Tc  Tc2  1  0.0  0.3  0.11  1.0
  P  P3  1  0.0  0.03  0.9  1.0

Cd Cd Tc P