# generated using pymatgen data_NdNb3(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.99843060 _cell_length_b 11.99842959 _cell_length_c 3.65271374 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000007 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdNb3(Co4P3)2 _chemical_formula_sum 'Nd2 Nb6 Co16 P12' _cell_volume 455.40219567 _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 0.33333300 0.66666700 0.00000000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb2 1 0.82098102 0.00000000 0.50000000 1.0 Nb Nb3 1 1.00000000 0.82098102 0.50000000 1.0 Nb Nb4 1 0.17901898 0.17901898 0.50000000 1.0 Nb Nb5 1 0.44166265 0.00000000 0.00000000 1.0 Nb Nb6 1 1.00000000 0.44166265 0.00000000 1.0 Nb Nb7 1 0.55833735 0.55833735 0.00000000 1.0 Co Co8 1 0.26919804 1.00000000 0.50000000 1.0 Co Co9 1 0.00000000 0.26919804 0.50000000 1.0 Co Co10 1 0.73080196 0.73080196 0.50000000 1.0 Co Co11 1 0.63663826 0.81313027 0.00000000 1.0 Co Co12 1 0.18686973 0.82350799 0.00000000 1.0 Co Co13 1 0.17649201 0.36336174 0.00000000 1.0 Co Co14 1 0.36336174 0.17649201 0.00000000 1.0 Co Co15 1 0.81313027 0.63663826 0.00000000 1.0 Co Co16 1 0.82350799 0.18686973 0.00000000 1.0 Co Co17 1 0.52357734 0.87860535 0.50000000 1.0 Co Co18 1 0.12139465 0.64497200 0.50000000 1.0 Co Co19 1 0.35502800 0.47642266 0.50000000 1.0 Co Co20 1 0.47642266 0.35502800 0.50000000 1.0 Co Co21 1 0.87860535 0.52357734 0.50000000 1.0 Co Co22 1 0.64497200 0.12139465 0.50000000 1.0 Co Co23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.17162745 1.00000000 0.00000000 1.0 P P25 1 0.00000000 0.17162745 0.00000000 1.0 P P26 1 0.82837255 0.82837255 0.00000000 1.0 P P27 1 0.53031566 0.69642663 0.50000000 1.0 P P28 1 0.30357337 0.83388904 0.50000000 1.0 P P29 1 0.16611096 0.46968434 0.50000000 1.0 P P30 1 0.46968434 0.16611096 0.50000000 1.0 P P31 1 0.69642663 0.53031566 0.50000000 1.0 P P32 1 0.83388904 0.30357337 0.50000000 1.0 P P33 1 0.64767105 1.00000000 0.00000000 1.0 P P34 1 0.00000000 0.64767105 0.00000000 1.0 P P35 1 0.35232895 0.35232895 0.00000000 1.0