# generated using pymatgen data_Nd6Si3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50680900 _cell_length_b 11.72013900 _cell_length_c 11.79775175 _cell_angle_alpha 60.26821794 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Si3Ni2 _chemical_formula_sum 'Nd12 Si6 Ni4' _cell_volume 541.12706106 _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 Nd Nd0 1 0.00000000 0.23666600 0.77407400 1.0 Nd Nd1 1 0.00000000 0.76778700 0.99770300 1.0 Nd Nd2 1 0.00000000 0.99626900 0.23494700 1.0 Nd Nd3 1 0.50000000 0.76232700 0.23011600 1.0 Nd Nd4 1 0.50000000 0.23182500 0.00874300 1.0 Nd Nd5 1 0.50000000 0.00958200 0.76452800 1.0 Nd Nd6 1 0.00000000 0.85891600 0.62531300 1.0 Nd Nd7 1 0.00000000 0.62161800 0.51423500 1.0 Nd Nd8 1 0.00000000 0.51451400 0.86163200 1.0 Nd Nd9 1 0.50000000 0.13584200 0.38076100 1.0 Nd Nd10 1 0.50000000 0.38083300 0.48149700 1.0 Nd Nd11 1 0.50000000 0.47628800 0.13803500 1.0 Si Si12 1 0.50000000 0.66638100 0.66612800 1.0 Si Si13 1 0.00000000 0.33701100 0.32781600 1.0 Si Si14 1 0.00000000 0.15224400 0.55984600 1.0 Si Si15 1 0.50000000 0.44095800 0.71107200 1.0 Si Si16 1 0.50000000 0.71352800 0.84532900 1.0 Si Si17 1 0.50000000 0.84718800 0.44245000 1.0 Ni Ni18 1 0.74896400 0.99956700 0.00207400 1.0 Ni Ni19 1 0.25103600 0.99956700 0.00207400 1.0 Ni Ni20 1 0.00000000 0.56212200 0.28232500 1.0 Ni Ni21 1 0.00000000 0.28896500 0.14930300 1.0