# generated using pymatgen data_NaLiNi12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.95553799 _cell_length_b 8.95553731 _cell_length_c 3.55020205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000610 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiNi12P7 _chemical_formula_sum 'Na1 Li1 Ni12 P7' _cell_volume 246.58519812 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.33333300 0.66666700 0.50000000 1.0 Ni Ni2 1 0.10005363 0.39536610 0.00000000 1.0 Ni Ni3 1 0.29531347 0.89994637 0.00000000 1.0 Ni Ni4 1 0.60463390 0.70468653 0.00000000 1.0 Ni Ni5 1 0.82622451 0.61019058 0.00000000 1.0 Ni Ni6 1 0.78396707 0.17377549 0.00000000 1.0 Ni Ni7 1 0.38980942 0.21603293 0.00000000 1.0 Ni Ni8 1 0.05280226 0.76501956 0.50000000 1.0 Ni Ni9 1 0.71221730 0.94719774 0.50000000 1.0 Ni Ni10 1 0.23498044 0.28778270 0.50000000 1.0 Ni Ni11 1 0.87936290 0.42415433 0.50000000 1.0 Ni Ni12 1 0.54479142 0.12063710 0.50000000 1.0 Ni Ni13 1 0.57584567 0.45520858 0.50000000 1.0 P P14 1 0.66666700 0.33333300 0.00000000 1.0 P P15 1 0.08565501 0.63023706 0.00000000 1.0 P P16 1 0.54458205 0.91434499 0.00000000 1.0 P P17 1 0.36976294 0.45541795 0.00000000 1.0 P P18 1 0.78053411 0.73906311 0.50000000 1.0 P P19 1 0.95852900 0.21946589 0.50000000 1.0 P P20 1 0.26093689 0.04147100 0.50000000 1.0