data_Cd2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuSi
_chemical_formula_sum   'Cd2 Cu1 Si1'
_cell_volume   72.86
_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  0.47  0.47  0.34  1.0
  Cd  Cd1  1  0.47  0.47  0.14  1.0
  Cu  Cu2  1  0.0  0.0  0.24  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Cd2CuSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2CuSi
_chemical_formula_sum   'Cd4 Cu2 Si2'
_cell_volume   145.72
_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  2  0.47  0.0  0.14  1.0
  Cd  Cd1  2  0.47  0.0  0.34  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.24  1.0

Cd Cd Cu Si
Cd Cd Cu Si 0 2 o o o 0 2 + + o 0 2 + o o 0 2 o + o 0 1 o o o 1 3 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 2 3 o o o 