data_CdGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.36
_cell_angle_alpha   96.34
_cell_angle_beta   96.34
_cell_angle_gamma   32.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Si
_chemical_formula_sum   'Cd1 Ga2 Si1'
_cell_volume   76.87
_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  0.39  0.0  0.33  1.0
  Ga  Ga1  1  0.38  0.0  0.24  1.0
  Ga  Ga2  1  0.01  0.0  0.96  1.0
  Si  Si3  1  0.73  0.0  0.78  1.0

data_CdGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.21
_cell_length_c   5.36
_cell_angle_alpha   96.34
_cell_angle_beta   90.0
_cell_angle_gamma   106.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Si
_chemical_formula_sum   'Cd1 Ga2 Si1'
_cell_volume   76.87
_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  0.61  0.67  1.0
  Ga  Ga1  1  0.0  0.62  0.76  1.0
  Ga  Ga2  1  0.0  0.99  0.04  1.0
  Si  Si3  1  0.0  0.27  0.22  1.0

Cd Ga Ga Si