data_CdGaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   148.15
_cell_angle_beta   148.15
_cell_angle_gamma   45.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaCl
_chemical_formula_sum   'Cd1 Ga1 Cl1'
_cell_volume   74.03
_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  0.0  0.86  1.0
  Ga  Ga2  1  0.0  0.0  0.01  1.0
  Cl  Cl1  1  0.0  0.0  0.87  1.0

data_CdGaCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   112.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGaCl
_chemical_formula_sum   'Cd2 Ga2 Cl2'
_cell_volume   148.07
_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
  Cd  Cd0  2  0.0  0.0  0.14  1.0
  Ga  Ga1  2  0.0  0.0  0.99  1.0
  Cl  Cl2  2  0.0  0.0  0.13  1.0

Cd Ga Cl
Cd Ga Cl 0 2 o o o 0 1 o o + 1 2 o o - 