data_Cd2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   129.33
_cell_angle_beta   129.33
_cell_angle_gamma   74.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcMo
_chemical_formula_sum   'Cd2 Tc1 Mo1'
_cell_volume   69.25
_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  0.91  1.0
  Cd  Cd1  1  0.0  0.1  0.96  1.0
  Tc  Tc3  1  0.1  0.0  0.96  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Cd2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.92
_cell_angle_alpha   115.33
_cell_angle_beta   115.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcMo
_chemical_formula_sum   'Cd2 Tc1 Mo1'
_cell_volume   69.25
_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  0.09  1.0
  Cd  Cd1  1  0.15  0.1  0.15  1.0
  Tc  Tc2  1  0.04  0.0  0.15  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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