# generated using pymatgen data_Cu2N5Cl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54049500 _cell_length_b 6.54049500 _cell_length_c 14.10169071 _cell_angle_alpha 103.40922972 _cell_angle_beta 103.40922972 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2N5Cl8 _chemical_formula_sum 'Cu4 N10 Cl16' _cell_volume 569.87821967 _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 Cu Cu0 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.25000000 0.75000000 0.50000000 1.0 Cu Cu3 1 0.75000000 0.25000000 0.50000000 1.0 N N4 1 0.67956800 0.57095900 0.75052600 1.0 N N5 1 0.07095900 0.17956800 0.75052600 1.0 N N6 1 0.57095900 0.07095900 0.75052600 1.0 N N7 1 0.17956800 0.67956800 0.75052600 1.0 N N8 1 0.32043200 0.42904100 0.24947400 1.0 N N9 1 0.92904100 0.82043200 0.24947400 1.0 N N10 1 0.42904100 0.92904100 0.24947400 1.0 N N11 1 0.82043200 0.32043200 0.24947400 1.0 N N12 1 0.25000000 0.25000000 0.50000000 1.0 N N13 1 0.75000000 0.75000000 0.50000000 1.0 Cl Cl14 1 0.38981900 0.38981900 0.77963800 1.0 Cl Cl15 1 0.88981900 0.88981900 0.77963800 1.0 Cl Cl16 1 0.61018100 0.61018100 0.22036200 1.0 Cl Cl17 1 0.11018100 0.11018100 0.22036200 1.0 Cl Cl18 1 0.38088500 0.49319900 0.37408500 1.0 Cl Cl19 1 0.99319900 0.88088500 0.37408500 1.0 Cl Cl20 1 0.49319900 0.99319900 0.37408500 1.0 Cl Cl21 1 0.88088500 0.38088500 0.37408500 1.0 Cl Cl22 1 0.61911500 0.50680100 0.62591500 1.0 Cl Cl23 1 0.00680100 0.11911500 0.62591500 1.0 Cl Cl24 1 0.50680100 0.00680100 0.62591500 1.0 Cl Cl25 1 0.11911500 0.61911500 0.62591500 1.0 Cl Cl26 1 0.24782900 0.25217100 0.00000000 1.0 Cl Cl27 1 0.75217100 0.74782900 0.00000000 1.0 Cl Cl28 1 0.25217100 0.75217100 0.00000000 1.0 Cl Cl29 1 0.74782900 0.24782900 0.00000000 1.0