data_Cd2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   140.1
_cell_angle_beta   140.1
_cell_angle_gamma   57.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiMo
_chemical_formula_sum   'Cd2 Si1 Mo1'
_cell_volume   70.36
_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  0.9  0.0  0.44  1.0
  Cd  Cd1  1  0.0  0.9  0.44  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.88  1.0

data_Cd2SiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   118.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2SiMo
_chemical_formula_sum   'Cd4 Si2 Mo2'
_cell_volume   140.71
_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  0.49  0.05  0.54  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.38  0.5  0.88  1.0

Cd Cd Si Mo