data_CdSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.19
_cell_angle_alpha   102.13
_cell_angle_beta   102.13
_cell_angle_gamma   112.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Mo
_chemical_formula_sum   'Cd1 Sn2 Mo1'
_cell_volume   85.86
_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  0.12  0.0  0.0  1.0
  Sn  Sn2  1  0.96  0.67  0.48  1.0
  Sn  Sn3  1  0.96  0.33  0.48  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_CdSn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   112.27
_cell_angle_beta   102.13
_cell_angle_gamma   102.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Mo
_chemical_formula_sum   'Cd1 Sn2 Mo1'
_cell_volume   85.86
_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  0.12  0.0  1.0
  Sn  Sn1  1  0.48  0.96  0.67  1.0
  Sn  Sn2  1  0.48  0.96  0.33  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Cd Sn Sn Mo
Cd Sn Sn Mo 0 3 o o o 0 1 - - - 1 3 + + + 1 2 o o o 2 3 + o o 