# generated using pymatgen data_Li2H2BrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79716000 _cell_length_b 7.93726500 _cell_length_c 12.66459100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2H2BrN _chemical_formula_sum 'Li16 H16 Br8 N8' _cell_volume 783.78779300 _cell_formula_units_Z 8 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 0.25000000 0.18659100 0.87435300 1.0 Li Li1 1 0.25000000 0.31340900 0.37435300 1.0 Li Li2 1 0.75000000 0.81340900 0.12564700 1.0 Li Li3 1 0.75000000 0.68659100 0.62564700 1.0 Li Li4 1 0.25000000 0.65992100 0.57158400 1.0 Li Li5 1 0.25000000 0.84007900 0.07158400 1.0 Li Li6 1 0.75000000 0.34007900 0.42841600 1.0 Li Li7 1 0.75000000 0.15992100 0.92841600 1.0 Li Li8 1 0.01087100 0.19138800 0.54607000 1.0 Li Li9 1 0.48912900 0.30861200 0.04607000 1.0 Li Li10 1 0.51087100 0.80861200 0.45393000 1.0 Li Li11 1 0.98912900 0.69138800 0.95393000 1.0 Li Li12 1 0.98912900 0.80861200 0.45393000 1.0 Li Li13 1 0.51087100 0.69138800 0.95393000 1.0 Li Li14 1 0.48912900 0.19138800 0.54607000 1.0 Li Li15 1 0.01087100 0.30861200 0.04607000 1.0 H H16 1 0.99458300 0.37075100 0.66002200 1.0 H H17 1 0.50541700 0.12924900 0.16002200 1.0 H H18 1 0.49458300 0.62924900 0.33997800 1.0 H H19 1 0.00541700 0.87075100 0.83997800 1.0 H H20 1 0.00541700 0.62924900 0.33997800 1.0 H H21 1 0.49458300 0.87075100 0.83997800 1.0 H H22 1 0.50541700 0.37075100 0.66002200 1.0 H H23 1 0.99458300 0.12924900 0.16002200 1.0 H H24 1 0.99103200 0.22749200 0.91337100 1.0 H H25 1 0.50896800 0.27250800 0.41337100 1.0 H H26 1 0.49103200 0.77250800 0.08662900 1.0 H H27 1 0.00896800 0.72749200 0.58662900 1.0 H H28 1 0.00896800 0.77250800 0.08662900 1.0 H H29 1 0.49103200 0.72749200 0.58662900 1.0 H H30 1 0.50896800 0.22749200 0.91337100 1.0 H H31 1 0.99103200 0.27250800 0.41337100 1.0 Br Br32 1 0.25000000 0.86056500 0.84778900 1.0 Br Br33 1 0.25000000 0.63943500 0.34778900 1.0 Br Br34 1 0.75000000 0.13943500 0.15221100 1.0 Br Br35 1 0.75000000 0.36056500 0.65221100 1.0 Br Br36 1 0.25000000 0.36384200 0.65980600 1.0 Br Br37 1 0.25000000 0.13615800 0.15980600 1.0 Br Br38 1 0.75000000 0.63615800 0.34019400 1.0 Br Br39 1 0.75000000 0.86384200 0.84019400 1.0 N N40 1 0.17588600 0.99651600 0.48480600 1.0 N N41 1 0.32411400 0.50348400 0.98480600 1.0 N N42 1 0.67588600 0.00348400 0.51519400 1.0 N N43 1 0.82411400 0.49651600 0.01519400 1.0 N N44 1 0.82411400 0.00348400 0.51519400 1.0 N N45 1 0.67588600 0.49651600 0.01519400 1.0 N N46 1 0.32411400 0.99651600 0.48480600 1.0 N N47 1 0.17588600 0.50348400 0.98480600 1.0