# generated using pymatgen data_Ca6NdNi4Sn13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21511560 _cell_length_b 11.21511560 _cell_length_c 4.60840567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6NdNi4Sn13 _chemical_formula_sum 'Ca6 Nd1 Ni4 Sn13' _cell_volume 579.63981776 _cell_formula_units_Z 1 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 Ca Ca0 1 0.83985721 0.16928773 0.00000000 1.0 Ca Ca1 1 0.83071227 0.83985721 0.00000000 1.0 Ca Ca2 1 0.16014279 0.83071227 0.00000000 1.0 Ca Ca3 1 0.16928773 0.16014279 0.00000000 1.0 Ca Ca4 1 0.00000000 0.50000000 0.00000000 1.0 Ca Ca5 1 0.50000000 0.00000000 0.00000000 1.0 Nd Nd6 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni7 1 0.77385079 0.61911505 0.50000000 1.0 Ni Ni8 1 0.38088495 0.77385079 0.50000000 1.0 Ni Ni9 1 0.61911505 0.22614921 0.50000000 1.0 Ni Ni10 1 0.22614921 0.38088495 0.50000000 1.0 Sn Sn11 1 0.01950566 0.28580913 0.50000000 1.0 Sn Sn12 1 0.98049434 0.71419087 0.50000000 1.0 Sn Sn13 1 0.21491232 0.61107437 0.50000000 1.0 Sn Sn14 1 0.57700548 0.30573069 0.00000000 1.0 Sn Sn15 1 0.69426931 0.57700548 0.00000000 1.0 Sn Sn16 1 0.78508768 0.38892563 0.50000000 1.0 Sn Sn17 1 0.71419087 0.01950566 0.50000000 1.0 Sn Sn18 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn19 1 0.28580913 0.98049434 0.50000000 1.0 Sn Sn20 1 0.42299452 0.69426931 0.00000000 1.0 Sn Sn21 1 0.61107437 0.78508768 0.50000000 1.0 Sn Sn22 1 0.30573069 0.42299452 0.00000000 1.0 Sn Sn23 1 0.38892563 0.21491232 0.50000000 1.0