# generated using pymatgen data_Li6Ni2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32611760 _cell_length_b 9.32611760 _cell_length_c 9.32611760 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Ni2P(CO4)4 _chemical_formula_sum 'Li12 Ni4 P2 C8 O32' _cell_volume 573.57163411 _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 0.28239400 0.28239400 0.71760600 1.0 Li Li1 1 0.96760600 0.53239400 0.53239400 1.0 Li Li2 1 0.71760600 0.28239400 0.71760600 1.0 Li Li3 1 0.28239400 0.71760600 0.28239400 1.0 Li Li4 1 0.53239400 0.96760600 0.96760600 1.0 Li Li5 1 0.53239400 0.53239400 0.96760600 1.0 Li Li6 1 0.71760600 0.28239400 0.28239400 1.0 Li Li7 1 0.71760600 0.71760600 0.28239400 1.0 Li Li8 1 0.96760600 0.53239400 0.96760600 1.0 Li Li9 1 0.53239400 0.96760600 0.53239400 1.0 Li Li10 1 0.28239400 0.71760600 0.71760600 1.0 Li Li11 1 0.96760600 0.96760600 0.53239400 1.0 Ni Ni12 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni13 1 0.12500000 0.12500000 0.12500000 1.0 Ni Ni14 1 0.12500000 0.12500000 0.62500000 1.0 Ni Ni15 1 0.12500000 0.62500000 0.12500000 1.0 P P16 1 0.50000000 0.50000000 0.50000000 1.0 P P17 1 0.75000000 0.75000000 0.75000000 1.0 C C18 1 0.29426600 0.90191100 0.90191100 1.0 C C19 1 0.90191100 0.29426600 0.90191100 1.0 C C20 1 0.90191100 0.90191100 0.90191100 1.0 C C21 1 0.90191100 0.90191100 0.29426600 1.0 C C22 1 0.34808900 0.34808900 0.95573400 1.0 C C23 1 0.34808900 0.34808900 0.34808900 1.0 C C24 1 0.34808900 0.95573400 0.34808900 1.0 C C25 1 0.95573400 0.34808900 0.34808900 1.0 O O26 1 0.21527300 0.49309200 0.33697600 1.0 O O27 1 0.95465900 0.33697600 0.49309200 1.0 O O28 1 0.29534100 0.03472700 0.91302400 1.0 O O29 1 0.03472700 0.29534100 0.75690800 1.0 O O30 1 0.29534100 0.75690800 0.03472700 1.0 O O31 1 0.56777600 0.56777600 0.29667300 1.0 O O32 1 0.91302400 0.03472700 0.75690800 1.0 O O33 1 0.56777600 0.56777600 0.56777600 1.0 O O34 1 0.56777600 0.29667300 0.56777600 1.0 O O35 1 0.91302400 0.29534100 0.03472700 1.0 O O36 1 0.75690800 0.29534100 0.91302400 1.0 O O37 1 0.29667300 0.56777600 0.56777600 1.0 O O38 1 0.03472700 0.91302400 0.29534100 1.0 O O39 1 0.75690800 0.91302400 0.03472700 1.0 O O40 1 0.91302400 0.75690800 0.29534100 1.0 O O41 1 0.49309200 0.21527300 0.95465900 1.0 O O42 1 0.75690800 0.03472700 0.29534100 1.0 O O43 1 0.33697600 0.49309200 0.95465900 1.0 O O44 1 0.49309200 0.33697600 0.21527300 1.0 O O45 1 0.21527300 0.33697600 0.95465900 1.0 O O46 1 0.95332700 0.68222400 0.68222400 1.0 O O47 1 0.49309200 0.95465900 0.33697600 1.0 O O48 1 0.33697600 0.95465900 0.21527300 1.0 O O49 1 0.68222400 0.95332700 0.68222400 1.0 O O50 1 0.68222400 0.68222400 0.68222400 1.0 O O51 1 0.33697600 0.21527300 0.49309200 1.0 O O52 1 0.68222400 0.68222400 0.95332700 1.0 O O53 1 0.95465900 0.49309200 0.21527300 1.0 O O54 1 0.21527300 0.95465900 0.49309200 1.0 O O55 1 0.95465900 0.21527300 0.33697600 1.0 O O56 1 0.29534100 0.91302400 0.75690800 1.0 O O57 1 0.03472700 0.75690800 0.91302400 1.0