data_Cr3Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Cl5
_chemical_formula_sum   'Cr6 Cl10'
_cell_volume   340.32
_cell_formula_units_Z   2
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  Cr10  1  0.57  0.48  0.67  1.0
  Cr  Cr11  1  0.83  0.76  0.89  1.0
  Cr  Cr12  1  0.17  0.76  0.67  1.0
  Cr  Cr13  1  0.86  0.0  0.67  1.0
  Cr  Cr14  1  0.34  0.0  0.89  1.0
  Cr  Cr15  1  0.43  0.48  0.89  1.0
  Cl  Cl0  1  0.6  0.08  0.78  1.0
  Cl  Cl1  1  0.0  0.16  0.0  1.0
  Cl  Cl2  1  0.0  0.16  0.78  1.0
  Cl  Cl3  1  0.6  0.08  0.0  1.0
  Cl  Cl4  1  0.34  0.62  0.67  1.0
  Cl  Cl5  1  0.06  0.63  0.89  1.0
  Cl  Cl6  1  0.94  0.63  0.67  1.0
  Cl  Cl7  1  0.33  0.0  0.67  1.0
  Cl  Cl8  1  0.88  0.0  0.89  1.0
  Cl  Cl9  1  0.66  0.62  0.89  1.0

data_Cr3Cl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Cl5
_chemical_formula_sum   'Cr6 Cl10'
_cell_volume   340.32
_cell_formula_units_Z   2
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  0.17  0.76  0.67  1.0
  Cr  Cr1  1  0.34  0.0  0.89  1.0
  Cr  Cr2  1  0.43  0.48  0.89  1.0
  Cr  Cr3  1  0.57  0.48  0.67  1.0
  Cr  Cr4  1  0.83  0.76  0.89  1.0
  Cr  Cr5  1  0.86  0.0  0.67  1.0
  Cl  Cl6  1  0.0  0.16  -0.0  1.0
  Cl  Cl7  1  0.0  0.16  0.78  1.0
  Cl  Cl8  1  0.06  0.63  0.89  1.0
  Cl  Cl9  1  0.33  0.0  0.67  1.0
  Cl  Cl10  1  0.34  0.62  0.67  1.0
  Cl  Cl11  1  0.6  0.08  -0.0  1.0
  Cl  Cl12  1  0.6  0.08  0.78  1.0
  Cl  Cl13  1  0.66  0.62  0.89  1.0
  Cl  Cl14  1  0.88  0.0  0.89  1.0
  Cl  Cl15  1  0.94  0.63  0.67  1.0

Cr Cr Cr Cr Cr Cr Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl