data_CrIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   134.72
_cell_angle_beta   134.72
_cell_angle_gamma   65.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Cl
_chemical_formula_sum   'Cr1 In2 Cl1'
_cell_volume   83.52
_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  0.0  0.63  1.0
  In  In2  1  0.0  0.12  0.31  1.0
  In  In3  1  0.12  0.0  0.31  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CrIn2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   122.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrIn2Cl
_chemical_formula_sum   'Cr2 In4 Cl2'
_cell_volume   167.03
_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  2  0.37  0.0  0.37  1.0
  In  In1  4  0.25  0.44  0.81  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Cr In In Cl
Cr In In Cl 0 1 o o o 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o o 