# generated using pymatgen data_LiNi20(SnP3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79691185 _cell_length_b 7.79691134 _cell_length_c 7.79691158 _cell_angle_alpha 60.00000316 _cell_angle_beta 60.00000533 _cell_angle_gamma 60.00000379 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi20(SnP3)2 _chemical_formula_sum 'Li1 Ni20 Sn2 P6' _cell_volume 335.16053274 _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 0.00000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.38379968 0.38379968 0.84860295 1.0 Ni Ni2 1 0.61620132 0.61620132 0.61620032 1.0 Ni Ni3 1 1.00000000 0.34969774 1.00000000 1.0 Ni Ni4 1 0.34969774 1.00000000 1.00000000 1.0 Ni Ni5 1 0.00000000 0.34969774 0.65030226 1.0 Ni Ni6 1 0.84860295 0.38379968 0.38379868 1.0 Ni Ni7 1 0.34969774 1.00000000 0.65030226 1.0 Ni Ni8 1 1.00000000 1.00000000 0.34969774 1.0 Ni Ni9 1 0.65030226 0.34969774 0.00000000 1.0 Ni Ni10 1 1.00000000 0.65030226 0.34969774 1.0 Ni Ni11 1 0.00000000 0.00000000 0.65030226 1.0 Ni Ni12 1 0.34969774 0.65030226 1.00000000 1.0 Ni Ni13 1 0.65030226 0.00000000 0.00000000 1.0 Ni Ni14 1 0.00000000 0.65030226 0.00000000 1.0 Ni Ni15 1 0.38379968 0.84860395 0.38379968 1.0 Ni Ni16 1 0.61620032 0.61620132 0.15139605 1.0 Ni Ni17 1 0.61620032 0.15139705 0.61620032 1.0 Ni Ni18 1 0.15139705 0.61620132 0.61620132 1.0 Ni Ni19 1 0.38379868 0.38379968 0.38379868 1.0 Ni Ni20 1 0.65030226 0.00000000 0.34969774 1.0 Sn Sn21 1 0.25000000 0.25000000 0.25000000 1.0 Sn Sn22 1 0.75000000 0.75000000 0.75000000 1.0 P P23 1 0.26168081 0.26168081 0.73831919 1.0 P P24 1 0.73831919 0.73831919 0.26168081 1.0 P P25 1 0.73831919 0.26168081 0.26168081 1.0 P P26 1 0.26168081 0.73831919 0.73831919 1.0 P P27 1 0.26168081 0.73831919 0.26168081 1.0 P P28 1 0.73831919 0.26168081 0.73831919 1.0