data_CdGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.04
_cell_angle_alpha   102.78
_cell_angle_beta   102.78
_cell_angle_gamma   32.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaSi2
_chemical_formula_sum   'Cd1 Ga1 Si2'
_cell_volume   74.21
_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  0.53  0.0  0.45  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.7  0.0  0.87  1.0
  Si  Si3  1  0.37  0.0  0.04  1.0

data_CdGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.04
_cell_length_c   5.32
_cell_angle_alpha   102.78
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaSi2
_chemical_formula_sum   'Cd1 Ga1 Si2'
_cell_volume   74.21
_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  0.45  0.53  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.04  0.37  1.0
  Si  Si3  1  0.0  0.87  0.7  1.0

Cd Ga Si Si