data_Cd2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   2.87
_cell_angle_alpha   98.22
_cell_angle_beta   98.22
_cell_angle_gamma   122.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiMo
_chemical_formula_sum   'Cd2 Si1 Mo1'
_cell_volume   71.75
_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  0.91  0.45  0.37  1.0
  Cd  Cd1  1  0.91  0.55  0.37  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.68  0.0  0.0  1.0

data_Cd2SiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.27
_cell_length_c   5.58
_cell_angle_alpha   114.21
_cell_angle_beta   98.22
_cell_angle_gamma   103.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiMo
_chemical_formula_sum   'Cd2 Si1 Mo1'
_cell_volume   71.75
_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  0.82  0.45  0.36  1.0
  Cd  Cd1  1  0.92  0.55  0.46  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.68  1.0

Cd Cd Si Mo