# generated using pymatgen data_LiNbCrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14241892 _cell_length_b 6.15107280 _cell_length_c 10.39078734 _cell_angle_alpha 87.87970267 _cell_angle_beta 105.11359365 _cell_angle_gamma 60.18955628 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbCrO4 _chemical_formula_sum 'Li4 Nb4 Cr4 O16' _cell_volume 322.28653270 _cell_formula_units_Z 4 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 0.12075300 0.93555600 0.18540700 1.0 Li Li1 1 0.12078400 0.43554800 0.68541200 1.0 Li Li2 1 0.87911900 0.56444800 0.31460000 1.0 Li Li3 1 0.87908900 0.06442100 0.81456500 1.0 Nb Nb4 1 0.49996700 0.99997100 0.49996300 1.0 Nb Nb5 1 0.50005200 0.50014400 0.99999500 1.0 Nb Nb6 1 0.49990700 0.74987200 0.75011100 1.0 Nb Nb7 1 0.49992000 0.25000600 0.24998300 1.0 Cr Cr8 1 0.00019200 0.50007700 0.99986100 1.0 Cr Cr9 1 0.50014300 0.49996400 0.50019900 1.0 Cr Cr10 1 0.00041700 0.99963300 0.50010500 1.0 Cr Cr11 1 0.49986400 0.99989700 0.99983400 1.0 O O12 1 0.26873600 0.87348200 0.39539700 1.0 O O13 1 0.26897300 0.37367800 0.89547600 1.0 O O14 1 0.26866700 0.64572400 0.62396500 1.0 O O15 1 0.26865800 0.14579000 0.12396600 1.0 O O16 1 0.73119700 0.85433100 0.87598600 1.0 O O17 1 0.73134100 0.35431200 0.37600200 1.0 O O18 1 0.73121000 0.62662600 0.10456000 1.0 O O19 1 0.73107800 0.12645100 0.60450800 1.0 O O20 1 0.23874900 0.10734200 0.61513900 1.0 O O21 1 0.23874600 0.60742100 0.11516600 1.0 O O22 1 0.72240800 0.62375100 0.61508900 1.0 O O23 1 0.72259500 0.12367500 0.11512200 1.0 O O24 1 0.76137600 0.39249600 0.88486500 1.0 O O25 1 0.76119700 0.89253700 0.38480900 1.0 O O26 1 0.27746500 0.87647000 0.88499100 1.0 O O27 1 0.27739600 0.37637700 0.38492200 1.0