# generated using pymatgen data_Ni6Cl7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06102900 _cell_length_b 6.99050140 _cell_length_c 10.63313290 _cell_angle_alpha 89.60090544 _cell_angle_beta 95.90488244 _cell_angle_gamma 106.43160328 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni6Cl7 _chemical_formula_sum 'Ni12 Cl14' _cell_volume 429.71323356 _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 Ni Ni0 1 0.78744200 0.57276700 0.07274800 1.0 Ni Ni1 1 0.78718400 0.07070000 0.06596500 1.0 Ni Ni2 1 0.64447900 0.78742900 0.78389700 1.0 Ni Ni3 1 0.35552100 0.21257100 0.21610300 1.0 Ni Ni4 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni6 1 0.21255800 0.42723300 0.92725200 1.0 Ni Ni7 1 0.21281600 0.92930000 0.93403500 1.0 Ni Ni8 1 0.07527000 0.63867100 0.64519100 1.0 Ni Ni9 1 0.07623800 0.15165100 0.65087800 1.0 Ni Ni10 1 0.92473000 0.36132900 0.35480900 1.0 Ni Ni11 1 0.92376200 0.84834900 0.34912200 1.0 Cl Cl12 1 0.95046900 0.10628400 0.85504400 1.0 Cl Cl13 1 0.64356000 0.53215400 0.28716800 1.0 Cl Cl14 1 0.64982700 0.03815000 0.30479000 1.0 Cl Cl15 1 0.78456200 0.81132600 0.57908600 1.0 Cl Cl16 1 0.79761200 0.32464100 0.57112100 1.0 Cl Cl17 1 0.50852000 0.76006200 0.98487100 1.0 Cl Cl18 1 0.49148000 0.23993800 0.01512900 1.0 Cl Cl19 1 0.35644000 0.46784600 0.71283200 1.0 Cl Cl20 1 0.35017300 0.96185000 0.69521000 1.0 Cl Cl21 1 0.05266300 0.38094100 0.13607800 1.0 Cl Cl22 1 0.04953100 0.89371600 0.14495600 1.0 Cl Cl23 1 0.20238800 0.67535900 0.42887900 1.0 Cl Cl24 1 0.21543800 0.18867400 0.42091400 1.0 Cl Cl25 1 0.94733700 0.61905900 0.86392200 1.0