# generated using pymatgen
data_CrCuN6Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13556000
_cell_length_b   10.13556000
_cell_length_c   10.13556000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuN6Cl5
_chemical_formula_sum   'Cr4 Cu4 N24 Cl20'
_cell_volume   1041.22178653
_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  0.75000000  0.25000000  0.25000000  1.0
  Cr  Cr1  1  0.25000000  0.75000000  0.25000000  1.0
  Cr  Cr2  1  0.25000000  0.25000000  0.75000000  1.0
  Cr  Cr3  1  0.75000000  0.75000000  0.75000000  1.0
  Cu  Cu4  1  0.25000000  0.75000000  0.75000000  1.0
  Cu  Cu5  1  0.75000000  0.25000000  0.75000000  1.0
  Cu  Cu6  1  0.75000000  0.75000000  0.25000000  1.0
  Cu  Cu7  1  0.25000000  0.25000000  0.25000000  1.0
  N  N8  1  0.86817200  0.34616600  0.34616600  1.0
  N  N9  1  0.13182800  0.65383400  0.34616600  1.0
  N  N10  1  0.13182800  0.34616600  0.65383400  1.0
  N  N11  1  0.86817200  0.65383400  0.65383400  1.0
  N  N12  1  0.34616600  0.34616600  0.86817200  1.0
  N  N13  1  0.65383400  0.34616600  0.13182800  1.0
  N  N14  1  0.34616600  0.65383400  0.13182800  1.0
  N  N15  1  0.65383400  0.65383400  0.86817200  1.0
  N  N16  1  0.34616600  0.86817200  0.34616600  1.0
  N  N17  1  0.34616600  0.13182800  0.65383400  1.0
  N  N18  1  0.65383400  0.13182800  0.34616600  1.0
  N  N19  1  0.65383400  0.86817200  0.65383400  1.0
  N  N20  1  0.63182800  0.15383400  0.15383400  1.0
  N  N21  1  0.36817200  0.84616600  0.15383400  1.0
  N  N22  1  0.36817200  0.15383400  0.84616600  1.0
  N  N23  1  0.63182800  0.84616600  0.84616600  1.0
  N  N24  1  0.15383400  0.15383400  0.63182800  1.0
  N  N25  1  0.84616600  0.15383400  0.36817200  1.0
  N  N26  1  0.15383400  0.84616600  0.36817200  1.0
  N  N27  1  0.84616600  0.84616600  0.63182800  1.0
  N  N28  1  0.15383400  0.63182800  0.15383400  1.0
  N  N29  1  0.15383400  0.36817200  0.84616600  1.0
  N  N30  1  0.84616600  0.36817200  0.15383400  1.0
  N  N31  1  0.84616600  0.63182800  0.84616600  1.0
  Cl  Cl32  1  0.36735400  0.63264600  0.63264600  1.0
  Cl  Cl33  1  0.63264600  0.36735400  0.63264600  1.0
  Cl  Cl34  1  0.63264600  0.63264600  0.36735400  1.0
  Cl  Cl35  1  0.36735400  0.36735400  0.36735400  1.0
  Cl  Cl36  1  0.13264600  0.86735400  0.86735400  1.0
  Cl  Cl37  1  0.86735400  0.13264600  0.86735400  1.0
  Cl  Cl38  1  0.86735400  0.86735400  0.13264600  1.0
  Cl  Cl39  1  0.13264600  0.13264600  0.13264600  1.0
  Cl  Cl40  1  0.00000000  0.50000000  0.75000000  1.0
  Cl  Cl41  1  0.00000000  0.50000000  0.25000000  1.0
  Cl  Cl42  1  0.50000000  0.75000000  0.00000000  1.0
  Cl  Cl43  1  0.50000000  0.25000000  0.00000000  1.0
  Cl  Cl44  1  0.75000000  0.00000000  0.50000000  1.0
  Cl  Cl45  1  0.25000000  0.00000000  0.50000000  1.0
  Cl  Cl46  1  0.50000000  0.00000000  0.75000000  1.0
  Cl  Cl47  1  0.50000000  0.00000000  0.25000000  1.0
  Cl  Cl48  1  0.00000000  0.75000000  0.50000000  1.0
  Cl  Cl49  1  0.00000000  0.25000000  0.50000000  1.0
  Cl  Cl50  1  0.75000000  0.50000000  0.00000000  1.0
  Cl  Cl51  1  0.25000000  0.50000000  0.00000000  1.0