data_Cr19S30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   10.39
_cell_length_c   10.7
_cell_angle_alpha   80.73
_cell_angle_beta   72.5
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr19S30
_chemical_formula_sum   'Cr19 S30'
_cell_volume   865.81
_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  Cr0  1  0.67  0.96  0.31  1.0
  Cr  Cr1  1  0.7  0.73  0.01  1.0
  Cr  Cr2  1  0.61  0.71  0.2  1.0
  Cr  Cr3  1  0.41  0.44  0.1  1.0
  Cr  Cr4  1  0.67  0.68  0.26  1.0
  Cr  Cr5  1  0.45  0.35  0.18  1.0
  Cr  Cr6  1  0.47  0.12  0.88  1.0
  Cr  Cr7  1  0.47  0.39  0.93  1.0
  Cr  Cr8  1  0.73  0.64  0.09  1.0
  Cr  Cr9  1  0.54  0.36  0.99  1.0
  Cr  Cr10  1  0.0  0.0  0.0  1.0
  Cr  Cr11  1  0.1  0.89  0.08  1.0
  Cr  Cr12  1  0.05  0.18  0.12  1.0
  Cr  Cr13  1  0.0  0.93  0.02  1.0
  Cr  Cr14  1  0.14  0.15  0.17  1.0
  Cr  Cr15  1  0.47  0.93  0.03  1.0
  Cr  Cr16  1  0.54  0.84  0.08  1.0
  Cr  Cr17  1  0.6  0.23  0.11  1.0
  Cr  Cr18  1  0.67  0.14  0.17  1.0
  S  S19  1  0.69  0.79  0.65  1.0
  S  S20  1  0.87  0.71  0.66  1.0
  S  S21  1  0.85  0.07  0.73  1.0
  S  S22  1  0.92  0.99  0.75  1.0
  S  S23  1  0.91  0.37  0.81  1.0
  S  S24  1  0.39  0.73  0.6  1.0
  S  S25  1  0.51  0.65  0.65  1.0
  S  S26  1  0.56  0.59  0.7  1.0
  S  S27  1  0.58  0.93  0.7  1.0
  S  S28  1  0.56  0.85  0.75  1.0
  S  S29  1  0.34  0.62  0.85  1.0
  S  S30  1  0.13  0.05  0.69  1.0
  S  S31  1  0.27  0.38  0.72  1.0
  S  S32  1  0.33  0.34  0.78  1.0
  S  S33  1  0.29  0.73  0.79  1.0
  S  S34  1  0.23  0.09  0.44  1.0
  S  S35  1  0.29  0.01  0.46  1.0
  S  S36  1  0.27  0.36  0.53  1.0
  S  S37  1  0.46  0.28  0.54  1.0
  S  S38  1  0.23  0.71  0.38  1.0
  S  S39  1  0.56  0.15  0.49  1.0
  S  S40  1  0.58  0.49  0.5  1.0
  S  S41  1  0.63  0.42  0.54  1.0
  S  S42  1  0.75  0.35  0.59  1.0
  S  S43  1  0.58  0.23  0.45  1.0
  S  S44  1  0.81  0.74  0.41  1.0
  S  S45  1  0.87  0.69  0.48  1.0
  S  S46  1  0.02  0.02  0.5  1.0
  S  S47  1  0.81  0.45  0.34  1.0
  S  S48  1  0.85  0.35  0.4  1.0

data_Cr19S30
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.88
_cell_length_b   10.39
_cell_length_c   10.7
_cell_angle_alpha   80.73
_cell_angle_beta   72.5
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr19S30
_chemical_formula_sum   'Cr19 S30'
_cell_volume   865.81
_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  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.93  0.02  1.0
  Cr  Cr2  1  0.05  0.18  0.12  1.0
  Cr  Cr3  1  0.1  0.89  0.08  1.0
  Cr  Cr4  1  0.14  0.15  0.17  1.0
  Cr  Cr5  1  0.41  0.44  0.1  1.0
  Cr  Cr6  1  0.45  0.35  0.18  1.0
  Cr  Cr7  1  0.47  0.93  0.03  1.0
  Cr  Cr8  1  0.47  0.39  0.93  1.0
  Cr  Cr9  1  0.47  0.12  0.88  1.0
  Cr  Cr10  1  0.54  0.36  0.99  1.0
  Cr  Cr11  1  0.54  0.84  0.08  1.0
  Cr  Cr12  1  0.6  0.23  0.11  1.0
  Cr  Cr13  1  0.61  0.71  0.2  1.0
  Cr  Cr14  1  0.67  0.96  0.31  1.0
  Cr  Cr15  1  0.67  0.68  0.26  1.0
  Cr  Cr16  1  0.67  0.14  0.17  1.0
  Cr  Cr17  1  0.7  0.73  0.01  1.0
  Cr  Cr18  1  0.73  0.64  0.09  1.0
  S  S19  1  0.02  0.02  0.5  1.0
  S  S20  1  0.13  0.05  0.69  1.0
  S  S21  1  0.23  0.09  0.44  1.0
  S  S22  1  0.23  0.71  0.38  1.0
  S  S23  1  0.27  0.36  0.53  1.0
  S  S24  1  0.27  0.38  0.72  1.0
  S  S25  1  0.29  0.73  0.79  1.0
  S  S26  1  0.29  0.01  0.46  1.0
  S  S27  1  0.33  0.34  0.78  1.0
  S  S28  1  0.34  0.62  0.85  1.0
  S  S29  1  0.39  0.73  0.6  1.0
  S  S30  1  0.46  0.28  0.54  1.0
  S  S31  1  0.51  0.65  0.65  1.0
  S  S32  1  0.56  0.15  0.49  1.0
  S  S33  1  0.56  0.59  0.7  1.0
  S  S34  1  0.56  0.85  0.75  1.0
  S  S35  1  0.58  0.23  0.45  1.0
  S  S36  1  0.58  0.49  0.5  1.0
  S  S37  1  0.58  0.93  0.7  1.0
  S  S38  1  0.63  0.42  0.54  1.0
  S  S39  1  0.69  0.79  0.65  1.0
  S  S40  1  0.75  0.35  0.59  1.0
  S  S41  1  0.81  0.45  0.34  1.0
  S  S42  1  0.81  0.74  0.41  1.0
  S  S43  1  0.85  0.07  0.73  1.0
  S  S44  1  0.85  0.35  0.4  1.0
  S  S45  1  0.87  0.69  0.48  1.0
  S  S46  1  0.87  0.71  0.66  1.0
  S  S47  1  0.91  0.37  0.81  1.0
  S  S48  1  0.92  0.99  0.75  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S