# generated using pymatgen data_Li4Cr3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12637700 _cell_length_b 5.89074329 _cell_length_c 10.62229203 _cell_angle_alpha 105.96370464 _cell_angle_beta 94.53896586 _cell_angle_gamma 106.90706512 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Cr3NiO8 _chemical_formula_sum 'Li8 Cr6 Ni2 O16' _cell_volume 290.62547664 _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 0.00000000 0.50000000 0.00000000 1.0 Li Li1 1 0.00060600 0.86853400 0.75424700 1.0 Li Li2 1 0.99939400 0.13146600 0.24575300 1.0 Li Li3 1 0.00044700 0.75010000 0.50000900 1.0 Li Li4 1 0.00000000 0.00000000 0.00000000 1.0 Li Li5 1 0.00399100 0.38092700 0.75080900 1.0 Li Li6 1 0.99600900 0.61907300 0.24919100 1.0 Li Li7 1 0.99955300 0.24990000 0.49999100 1.0 Cr Cr8 1 0.50103900 0.93925000 0.37382100 1.0 Cr Cr9 1 0.50098500 0.19015600 0.87756600 1.0 Cr Cr10 1 0.50048500 0.56313600 0.62675000 1.0 Cr Cr11 1 0.49901500 0.80984400 0.12243400 1.0 Cr Cr12 1 0.49951500 0.43686400 0.37325000 1.0 Cr Cr13 1 0.49896100 0.06075000 0.62617900 1.0 Ni Ni14 1 0.49915400 0.68771200 0.87482100 1.0 Ni Ni15 1 0.50084600 0.31228800 0.12517900 1.0 O O16 1 0.27571700 0.09844200 0.43933700 1.0 O O17 1 0.73029000 0.27737400 0.31560500 1.0 O O18 1 0.27730800 0.34686800 0.93569700 1.0 O O19 1 0.73276300 0.52120000 0.80790300 1.0 O O20 1 0.72428300 0.90155800 0.56066300 1.0 O O21 1 0.26971000 0.72262600 0.68439500 1.0 O O22 1 0.27933400 0.97056100 0.18922300 1.0 O O23 1 0.73295100 0.14567300 0.05648900 1.0 O O24 1 0.27890000 0.59904800 0.43996900 1.0 O O25 1 0.72434800 0.77667300 0.30891700 1.0 O O26 1 0.26704900 0.85432700 0.94351100 1.0 O O27 1 0.72066600 0.02943900 0.81077700 1.0 O O28 1 0.27565200 0.22332700 0.69108300 1.0 O O29 1 0.26723700 0.47880000 0.19209700 1.0 O O30 1 0.72110000 0.40095200 0.56003100 1.0 O O31 1 0.72269200 0.65313200 0.06430300 1.0