data_Cr2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   135.06
_cell_angle_beta   135.06
_cell_angle_gamma   65.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdGa
_chemical_formula_sum   'Cr2 Cd1 Ga1'
_cell_volume   58.36
_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  0.88  0.07  1.0
  Cr  Cr2  1  0.88  0.0  0.07  1.0
  Cd  Cd0  1  0.0  0.0  0.14  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

data_Cr2CdGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   122.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CdGa
_chemical_formula_sum   'Cr4 Cd2 Ga2'
_cell_volume   116.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.06  0.06  0.19  1.0
  Cd  Cd1  2  0.0  0.0  0.14  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

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