# generated using pymatgen data_CuH2(NCl2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66537900 _cell_length_b 7.66537900 _cell_length_c 7.54213200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH2(NCl2)2 _chemical_formula_sum 'Cu2 H4 N4 Cl8' _cell_volume 443.16085764 _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 0.00000000 0.00000000 0.00000000 1.0 Cu Cu1 1 0.50000000 0.50000000 0.50000000 1.0 H H2 1 0.00000000 0.00000000 0.40479000 1.0 H H3 1 0.00000000 0.00000000 0.59521000 1.0 H H4 1 0.50000000 0.50000000 0.90479000 1.0 H H5 1 0.50000000 0.50000000 0.09521000 1.0 N N6 1 0.50000000 0.00000000 0.25000000 1.0 N N7 1 0.50000000 0.00000000 0.75000000 1.0 N N8 1 0.00000000 0.50000000 0.25000000 1.0 N N9 1 0.00000000 0.50000000 0.75000000 1.0 Cl Cl10 1 0.63105500 0.36894500 0.00000000 1.0 Cl Cl11 1 0.36894500 0.63105500 0.00000000 1.0 Cl Cl12 1 0.86894500 0.86894500 0.50000000 1.0 Cl Cl13 1 0.13105500 0.13105500 0.50000000 1.0 Cl Cl14 1 0.18825900 0.18825900 0.00000000 1.0 Cl Cl15 1 0.81174100 0.81174100 0.00000000 1.0 Cl Cl16 1 0.68825900 0.31174100 0.50000000 1.0 Cl Cl17 1 0.31174100 0.68825900 0.50000000 1.0