data_CdInSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   146.47
_cell_angle_beta   131.76
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInSi
_chemical_formula_sum   'Cd1 In1 Si1'
_cell_volume   66.24
_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  0.4  1.0
  In  In1  1  0.0  0.0  0.32  1.0
  Si  Si2  1  0.0  0.0  0.17  1.0

data_CdInSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.46
_cell_length_c   5.45
_cell_angle_alpha   114.12
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInSi
_chemical_formula_sum   'Cd1 In1 Si1'
_cell_volume   66.24
_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  0.4  0.4  1.0
  In  In1  1  0.0  0.32  0.32  1.0
  Si  Si2  1  0.0  0.17  0.17  1.0

Cd In Si