# generated using pymatgen data_LiNb3(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.85759191 _cell_length_b 11.85759200 _cell_length_c 3.55868639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000247 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb3(Co4P3)2 _chemical_formula_sum 'Li2 Nb6 Co16 P12' _cell_volume 433.32459548 _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 Li Li0 1 0.33333300 0.66666700 0.00000000 1.0 Li Li1 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb2 1 0.82080246 0.00000000 0.50000000 1.0 Nb Nb3 1 0.00000000 0.82080246 0.50000000 1.0 Nb Nb4 1 0.17919754 0.17919754 0.50000000 1.0 Nb Nb5 1 0.44460732 0.00000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.44460732 0.00000000 1.0 Nb Nb7 1 0.55539268 0.55539268 0.00000000 1.0 Co Co8 1 0.27586731 1.00000000 0.50000000 1.0 Co Co9 1 1.00000000 0.27586731 0.50000000 1.0 Co Co10 1 0.72413269 0.72413269 0.50000000 1.0 Co Co11 1 0.63407848 0.80789625 0.00000000 1.0 Co Co12 1 0.19210375 0.82618223 0.00000000 1.0 Co Co13 1 0.17381777 0.36592152 0.00000000 1.0 Co Co14 1 0.36592152 0.17381777 0.00000000 1.0 Co Co15 1 0.80789625 0.63407848 0.00000000 1.0 Co Co16 1 0.82618223 0.19210375 0.00000000 1.0 Co Co17 1 0.52331786 0.87355614 0.50000000 1.0 Co Co18 1 0.12644386 0.64976173 0.50000000 1.0 Co Co19 1 0.35023827 0.47668214 0.50000000 1.0 Co Co20 1 0.47668214 0.35023827 0.50000000 1.0 Co Co21 1 0.87355614 0.52331786 0.50000000 1.0 Co Co22 1 0.64976173 0.12644386 0.50000000 1.0 Co Co23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.17325265 0.00000000 0.00000000 1.0 P P25 1 0.00000000 0.17325265 0.00000000 1.0 P P26 1 0.82674735 0.82674735 0.00000000 1.0 P P27 1 0.51184243 0.68637775 0.50000000 1.0 P P28 1 0.31362225 0.82546368 0.50000000 1.0 P P29 1 0.17453632 0.48815757 0.50000000 1.0 P P30 1 0.48815757 0.17453632 0.50000000 1.0 P P31 1 0.68637775 0.51184243 0.50000000 1.0 P P32 1 0.82546368 0.31362225 0.50000000 1.0 P P33 1 0.64849657 1.00000000 0.00000000 1.0 P P34 1 1.00000000 0.64849657 0.00000000 1.0 P P35 1 0.35150343 0.35150343 0.00000000 1.0