data_CrCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.82
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdGa2
_chemical_formula_sum   'Cr1 Cd1 Ga2'
_cell_volume   65.54
_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
  Cr  Cr1  1  0.0  0.0  0.39  1.0
  Cd  Cd0  1  0.53  0.91  0.81  1.0
  Ga  Ga2  1  0.53  0.91  0.46  1.0
  Ga  Ga3  1  0.0  0.0  0.36  1.0

data_CrCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.82
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdGa2
_chemical_formula_sum   'Cr1 Cd1 Ga2'
_cell_volume   65.54
_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
  Cr  Cr0  1  0.0  0.0  0.39  1.0
  Cd  Cd1  1  0.53  0.91  0.81  1.0
  Ga  Ga2  1  0.0  0.0  0.36  1.0
  Ga  Ga3  1  0.53  0.91  0.46  1.0

Cr Cd Ga Ga
Cr Cd Ga Ga 0 3 o o o 0 2 o - o 0 2 - - o 1 2 o o o 2 3 o + o 2 3 + + o 