data_CdCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuSi2
_chemical_formula_sum   'Cd1 Cu1 Si2'
_cell_volume   68.31
_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  0.0  0.09  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.36  0.0  0.08  1.0
  Si  Si3  1  0.36  0.0  0.1  1.0

data_CdCuSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.81
_cell_length_b   4.77
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCuSi2
_chemical_formula_sum   'Cd2 Cu2 Si4'
_cell_volume   136.71
_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  2  0.0  0.0  0.91  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.14  0.5  0.9  1.0
  Si  Si3  2  0.14  0.5  0.92  1.0

Cd Cu Si Si