# generated using pymatgen data_Zr3Cu2SnN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61307583 _cell_length_b 8.61307578 _cell_length_c 8.61307654 _cell_angle_alpha 60.00000086 _cell_angle_beta 60.00000104 _cell_angle_gamma 59.99999395 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Cu2SnN _chemical_formula_sum 'Zr12 Cu8 Sn4 N4' _cell_volume 451.81415656 _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 Zr Zr0 1 0.81393350 0.18606650 0.18606650 1.0 Zr Zr1 1 0.18606650 0.81393350 0.18606650 1.0 Zr Zr2 1 0.81393350 0.81393350 0.18606650 1.0 Zr Zr3 1 0.18606650 0.81393350 0.81393350 1.0 Zr Zr4 1 0.81393350 0.18606650 0.81393350 1.0 Zr Zr5 1 0.18606650 0.18606650 0.81393350 1.0 Zr Zr6 1 0.43606650 0.06393350 0.06393350 1.0 Zr Zr7 1 0.06393350 0.43606650 0.06393350 1.0 Zr Zr8 1 0.43606650 0.43606650 0.06393350 1.0 Zr Zr9 1 0.06393350 0.43606650 0.43606650 1.0 Zr Zr10 1 0.43606650 0.06393350 0.43606650 1.0 Zr Zr11 1 0.06393350 0.06393350 0.43606650 1.0 Cu Cu12 1 0.41432665 0.41432665 0.75701906 1.0 Cu Cu13 1 0.41432665 0.41432665 0.41432665 1.0 Cu Cu14 1 0.75701906 0.41432665 0.41432665 1.0 Cu Cu15 1 0.41432665 0.75701906 0.41432665 1.0 Cu Cu16 1 0.83567335 0.83567335 0.49298094 1.0 Cu Cu17 1 0.83567335 0.83567335 0.83567335 1.0 Cu Cu18 1 0.49298094 0.83567335 0.83567335 1.0 Cu Cu19 1 0.83567335 0.49298094 0.83567335 1.0 Sn Sn20 1 0.62500000 0.62500000 0.12500000 1.0 Sn Sn21 1 0.62500000 0.62500000 0.62500000 1.0 Sn Sn22 1 0.12500000 0.62500000 0.62500000 1.0 Sn Sn23 1 0.62500000 0.12500000 0.62500000 1.0 N N24 1 0.12500000 0.12500000 0.62500000 1.0 N N25 1 0.12500000 0.12500000 0.12500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.62500000 0.12500000 1.0