data_CrCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.33
_cell_angle_alpha   101.43
_cell_angle_beta   101.43
_cell_angle_gamma   34.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ga
_chemical_formula_sum   'Cr1 Cd2 Ga1'
_cell_volume   71.13
_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  Cr2  1  0.17  0.0  0.78  1.0
  Cd  Cd0  1  0.4  0.0  0.02  1.0
  Cd  Cd1  1  0.89  0.0  0.36  1.0
  Ga  Ga3  1  0.45  0.0  0.67  1.0

data_CrCd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.93
_cell_length_c   5.33
_cell_angle_alpha   101.43
_cell_angle_beta   90.0
_cell_angle_gamma   107.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ga
_chemical_formula_sum   'Cr1 Cd2 Ga1'
_cell_volume   71.13
_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  0.83  0.22  1.0
  Cd  Cd1  1  0.0  0.11  0.64  1.0
  Cd  Cd2  1  0.0  0.6  0.98  1.0
  Ga  Ga3  1  0.0  0.55  0.33  1.0

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