# generated using pymatgen data_Nb5Co19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.62464224 _cell_length_b 11.62464231 _cell_length_c 3.56381287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999980 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Co19P12 _chemical_formula_sum 'Nb5 Co19 P12' _cell_volume 417.06593496 _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 Nb Nb0 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb1 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb2 1 0.81952711 0.00000000 0.00000000 1.0 Nb Nb3 1 0.00000000 0.81952711 0.00000000 1.0 Nb Nb4 1 0.18047289 0.18047289 0.00000000 1.0 Co Co5 1 0.62334963 0.80389104 0.50000000 1.0 Co Co6 1 0.19610896 0.81945860 0.50000000 1.0 Co Co7 1 0.18054140 0.37665037 0.50000000 1.0 Co Co8 1 0.37665037 0.18054140 0.50000000 1.0 Co Co9 1 0.80389104 0.62334963 0.50000000 1.0 Co Co10 1 0.81945860 0.19610896 0.50000000 1.0 Co Co11 1 0.28211772 0.00000000 0.00000000 1.0 Co Co12 1 1.00000000 0.28211772 0.00000000 1.0 Co Co13 1 0.71788228 0.71788228 0.00000000 1.0 Co Co14 1 0.44762432 0.00000000 0.50000000 1.0 Co Co15 1 0.00000000 0.44762432 0.50000000 1.0 Co Co16 1 0.55237568 0.55237568 0.50000000 1.0 Co Co17 1 0.51559629 0.87492918 0.00000000 1.0 Co Co18 1 0.12507082 0.64066712 0.00000000 1.0 Co Co19 1 0.35933288 0.48440371 0.00000000 1.0 Co Co20 1 0.48440371 0.35933288 0.00000000 1.0 Co Co21 1 0.87492918 0.51559629 0.00000000 1.0 Co Co22 1 0.64066712 0.12507082 0.00000000 1.0 Co Co23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.17702932 0.00000000 0.50000000 1.0 P P25 1 1.00000000 0.17702932 0.50000000 1.0 P P26 1 0.82297068 0.82297068 0.50000000 1.0 P P27 1 0.51734060 0.68599696 0.00000000 1.0 P P28 1 0.31400304 0.83134364 0.00000000 1.0 P P29 1 0.16865636 0.48265940 0.00000000 1.0 P P30 1 0.48265940 0.16865636 0.00000000 1.0 P P31 1 0.68599696 0.51734060 0.00000000 1.0 P P32 1 0.83134364 0.31400304 0.00000000 1.0 P P33 1 0.63929784 0.00000000 0.50000000 1.0 P P34 1 1.00000000 0.63929784 0.50000000 1.0 P P35 1 0.36070216 0.36070216 0.50000000 1.0