# generated using pymatgen data_Li6Ni16P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69910431 _cell_length_b 7.69910447 _cell_length_c 7.69910436 _cell_angle_alpha 59.99999626 _cell_angle_beta 59.99999559 _cell_angle_gamma 59.99999773 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Ni16P7 _chemical_formula_sum 'Li6 Ni16 P7' _cell_volume 322.70492275 _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 Li Li0 1 0.79598524 0.20401376 0.20401376 1.0 Li Li1 1 0.20401276 0.79598624 0.79598624 1.0 Li Li2 1 0.20401376 0.79598524 0.20401376 1.0 Li Li3 1 0.20401376 0.20401376 0.79598524 1.0 Li Li4 1 0.79598624 0.20401276 0.79598624 1.0 Li Li5 1 0.79598624 0.79598624 0.20401276 1.0 Ni Ni6 1 0.38256504 0.38256504 0.38256504 1.0 Ni Ni7 1 0.38256504 0.38256504 0.85230587 1.0 Ni Ni8 1 0.85230587 0.38256504 0.38256504 1.0 Ni Ni9 1 0.38256504 0.85230587 0.38256504 1.0 Ni Ni10 1 0.61743496 0.61743496 0.61743496 1.0 Ni Ni11 1 0.61743496 0.61743496 0.14769413 1.0 Ni Ni12 1 0.61743496 0.14769413 0.61743496 1.0 Ni Ni13 1 0.14769413 0.61743496 0.61743496 1.0 Ni Ni14 1 0.16595591 0.16595591 0.16595591 1.0 Ni Ni15 1 0.16595591 0.16595591 0.50213328 1.0 Ni Ni16 1 0.50213328 0.16595591 0.16595591 1.0 Ni Ni17 1 0.16595591 0.50213328 0.16595591 1.0 Ni Ni18 1 0.83404409 0.83404409 0.83404409 1.0 Ni Ni19 1 0.83404409 0.83404409 0.49786772 1.0 Ni Ni20 1 0.83404409 0.49786772 0.83404409 1.0 Ni Ni21 1 0.49786772 0.83404409 0.83404409 1.0 P P22 1 0.50000000 0.00000000 0.50000000 1.0 P P23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.00000000 0.50000000 0.00000000 1.0 P P25 1 0.00000000 0.50000000 0.50000000 1.0 P P26 1 0.50000000 0.00000000 0.00000000 1.0 P P27 1 0.50000000 0.50000000 0.00000000 1.0 P P28 1 0.50000000 0.50000000 0.50000000 1.0