data_CdIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   6.01
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Cl
_chemical_formula_sum   'Cd1 In2 Cl1'
_cell_volume   108.8
_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  0.32  0.01  0.3  1.0
  In  In2  1  0.07  0.01  0.67  1.0
  In  In3  1  0.03  0.0  0.33  1.0
  Cl  Cl1  1  0.97  0.0  0.61  1.0

data_CdIn2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   6.01
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdIn2Cl
_chemical_formula_sum   'Cd1 In2 Cl1'
_cell_volume   108.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.32  0.0  0.3  1.0
  In  In1  1  0.03  0.0  0.33  1.0
  In  In2  1  0.07  0.0  0.67  1.0
  Cl  Cl3  1  0.97  0.0  0.61  1.0

Cd In In Cl
Cd In In Cl 0 2 o o o 1 3 - o o 