data_ZnCd2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.5
_cell_length_b   10.5
_cell_length_c   10.5
_cell_angle_alpha   15.98
_cell_angle_beta   15.98
_cell_angle_gamma   15.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Si
_chemical_formula_sum   'Zn1 Cd2 Si1'
_cell_volume   76.58
_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
  Zn  Zn3  1  0.0  0.0  0.55  1.0
  Cd  Cd0  1  0.0  0.0  0.74  1.0
  Cd  Cd1  1  0.0  0.0  0.36  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_ZnCd2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   2.92
_cell_length_c   10.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCd2Si
_chemical_formula_sum   'Zn2 Cd4 Si2'
_cell_volume   153.16
_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
  Zn  Zn0  2  0.0  0.0  0.45  1.0
  Cd  Cd1  2  0.0  0.0  0.26  1.0
  Cd  Cd2  2  0.0  0.0  0.64  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Zn Cd Cd Si
Zn Cd Cd Si 0 2 o o o 0 1 o o o 1 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 