data_Cd3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   143.41
_cell_angle_beta   118.37
_cell_angle_gamma   73.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Cl
_chemical_formula_sum   'Cd3 Cl1'
_cell_volume   100.53
_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  0.97  0.34  1.0
  Cd  Cd1  1  0.82  0.0  0.3  1.0
  Cd  Cd2  1  0.0  0.0  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_Cd3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   61.63
_cell_angle_beta   71.7
_cell_angle_gamma   71.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Cl
_chemical_formula_sum   'Cd3 Cl1'
_cell_volume   100.53
_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  0.64  1.0
  Cd  Cd1  1  0.0  0.18  0.3  1.0
  Cd  Cd2  1  0.97  0.0  0.37  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cd Cd Cd Cl