data_CaCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.55
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdGa2
_chemical_formula_sum   'Ca1 Cd1 Ga2'
_cell_volume   94.7
_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
  Ca  Ca0  1  0.3  0.0  0.82  1.0
  Cd  Cd1  1  0.65  0.28  0.51  1.0
  Ga  Ga2  1  0.42  0.0  0.04  1.0
  Ga  Ga3  1  0.85  0.28  0.33  1.0

data_CaCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.55
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdGa2
_chemical_formula_sum   'Ca1 Cd1 Ga2'
_cell_volume   94.7
_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
  Ca  Ca0  1  0.3  0.0  0.82  1.0
  Cd  Cd1  1  0.65  0.28  0.51  1.0
  Ga  Ga2  1  0.42  0.0  0.04  1.0
  Ga  Ga3  1  0.85  0.28  0.33  1.0

Ca Cd Ga Ga
Ca Cd Ga Ga 0 2 o o + 1 3 o o o 