# generated using pymatgen data_Ca4Nd3Ni4Sn13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21409046 _cell_length_b 11.21409046 _cell_length_c 4.59077485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Nd3Ni4Sn13 _chemical_formula_sum 'Ca4 Nd3 Ni4 Sn13' _cell_volume 577.31667777 _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 0.83846937 0.17190087 0.00000000 1.0 Ca Ca1 1 0.82809913 0.83846937 0.00000000 1.0 Ca Ca2 1 0.16153063 0.82809913 0.00000000 1.0 Ca Ca3 1 0.17190087 0.16153063 0.00000000 1.0 Nd Nd4 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd5 1 0.00000000 0.50000000 0.00000000 1.0 Nd Nd6 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.77502110 0.61839197 0.50000000 1.0 Ni Ni8 1 0.38160803 0.77502110 0.50000000 1.0 Ni Ni9 1 0.61839197 0.22497890 0.50000000 1.0 Ni Ni10 1 0.22497890 0.38160803 0.50000000 1.0 Sn Sn11 1 0.01999221 0.28652154 0.50000000 1.0 Sn Sn12 1 0.98000779 0.71347846 0.50000000 1.0 Sn Sn13 1 0.21532931 0.61266157 0.50000000 1.0 Sn Sn14 1 0.56919308 0.30171521 0.00000000 1.0 Sn Sn15 1 0.69828479 0.56919308 0.00000000 1.0 Sn Sn16 1 0.78467069 0.38733843 0.50000000 1.0 Sn Sn17 1 0.71347846 0.01999221 0.50000000 1.0 Sn Sn18 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn19 1 0.28652154 0.98000779 0.50000000 1.0 Sn Sn20 1 0.43080692 0.69828479 0.00000000 1.0 Sn Sn21 1 0.61266157 0.78467069 0.50000000 1.0 Sn Sn22 1 0.30171521 0.43080692 0.00000000 1.0 Sn Sn23 1 0.38733843 0.21532931 0.50000000 1.0