data_CrPt(NCl)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.35
_cell_length_b   7.88
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPt(NCl)5
_chemical_formula_sum   'Cr4 Pt4 N20 Cl20'
_cell_volume   1279.24
_cell_formula_units_Z   4
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  0.02  0.97  0.37  1.0
  Cr  Cr1  1  0.85  0.97  0.59  1.0
  Cr  Cr2  1  0.33  0.91  0.94  1.0
  Cr  Cr3  1  0.5  0.91  0.72  1.0
  Pt  Pt4  1  0.15  0.97  0.81  1.0
  Pt  Pt5  1  0.97  0.97  0.84  1.0
  Pt  Pt6  1  0.2  0.91  0.5  1.0
  Pt  Pt7  1  0.38  0.91  0.47  1.0
  N  N8  1  0.01  0.78  0.76  1.0
  N  N9  1  0.84  0.16  0.21  1.0
  N  N10  1  0.34  0.72  0.55  1.0
  N  N11  1  0.51  0.1  0.1  1.0
  N  N12  1  0.34  0.1  0.55  1.0
  N  N13  1  0.51  0.72  0.1  1.0
  N  N14  1  0.01  0.16  0.76  1.0
  N  N15  1  0.84  0.78  0.21  1.0
  N  N16  1  0.86  0.15  0.24  1.0
  N  N17  1  0.69  0.8  0.72  1.0
  N  N18  1  0.48  0.09  0.07  1.0
  N  N19  1  0.66  0.74  0.59  1.0
  N  N20  1  0.48  0.74  0.07  1.0
  N  N21  1  0.66  0.09  0.59  1.0
  N  N22  1  0.86  0.8  0.24  1.0
  N  N23  1  0.69  0.15  0.72  1.0
  N  N24  1  0.35  0.97  0.38  1.0
  N  N25  1  0.17  0.97  0.59  1.0
  N  N26  1  0.0  0.91  0.93  1.0
  N  N27  1  0.18  0.91  0.72  1.0
  Cl  Cl28  1  0.17  0.97  0.81  1.0
  Cl  Cl29  1  0.99  0.97  0.85  1.0
  Cl  Cl30  1  0.18  0.91  0.5  1.0
  Cl  Cl31  1  0.35  0.91  0.46  1.0
  Cl  Cl32  1  0.12  0.59  0.86  1.0
  Cl  Cl33  1  0.95  0.23  0.79  1.0
  Cl  Cl34  1  0.23  0.65  0.45  1.0
  Cl  Cl35  1  0.4  0.29  0.52  1.0
  Cl  Cl36  1  0.23  0.29  0.45  1.0
  Cl  Cl37  1  0.4  0.65  0.52  1.0
  Cl  Cl38  1  0.12  0.23  0.86  1.0
  Cl  Cl39  1  0.95  0.59  0.79  1.0
  Cl  Cl40  1  0.24  0.97  0.61  1.0
  Cl  Cl41  1  0.06  0.97  0.04  1.0
  Cl  Cl42  1  0.11  0.91  0.7  1.0
  Cl  Cl43  1  0.29  0.91  0.27  1.0
  Cl  Cl44  1  0.34  0.97  0.44  1.0
  Cl  Cl45  1  0.51  0.97  0.22  1.0
  Cl  Cl46  1  0.01  0.91  0.87  1.0
  Cl  Cl47  1  0.84  0.91  0.09  1.0

data_CrPt(NCl)5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.88
_cell_length_b   11.31
_cell_length_c   14.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrPt(NCl)5
_chemical_formula_sum   'Cr4 Pt4 N20 Cl20'
_cell_volume   1279.24
_cell_formula_units_Z   4
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
  Cr  Cr0  2  0.47  0.56  0.33  1.0
  Cr  Cr1  2  0.47  0.78  0.15  1.0
  Pt  Pt2  2  0.47  0.31  0.2  1.0
  Pt  Pt3  2  0.47  0.34  0.03  1.0
  N  N4  2  0.28  0.4  0.16  1.0
  N  N5  2  0.28  0.95  0.34  1.0
  N  N6  2  0.3  0.43  0.48  1.0
  N  N7  2  0.3  0.91  0.31  1.0
  N  N8  2  0.34  0.05  0.66  1.0
  N  N9  2  0.34  0.6  0.84  1.0
  N  N10  2  0.35  0.09  0.69  1.0
  N  N11  2  0.35  0.57  0.52  1.0
  N  N12  2  0.47  0.57  0.0  1.0
  N  N13  2  0.47  0.78  0.83  1.0
  Cl  Cl14  2  0.15  0.64  0.77  1.0
  Cl  Cl15  2  0.15  0.71  0.95  1.0
  Cl  Cl16  2  0.21  0.29  0.05  1.0
  Cl  Cl17  2  0.21  0.36  0.23  1.0
  Cl  Cl18  2  0.47  0.11  0.11  1.0
  Cl  Cl19  2  0.47  0.31  0.18  1.0
  Cl  Cl20  2  0.47  0.35  0.01  1.0
  Cl  Cl21  2  0.47  0.54  0.94  1.0
  Cl  Cl22  2  0.47  0.72  0.84  1.0
  Cl  Cl23  2  0.47  0.94  0.66  1.0

Cr Cr Cr Cr Pt Pt Pt Pt N N N N N N N N N N N N N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl