# generated using pymatgen data_Na5Ni2As(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96996037 _cell_length_b 9.96996037 _cell_length_c 9.90115790 _cell_angle_alpha 60.33869885 _cell_angle_beta 60.33869885 _cell_angle_gamma 90.53760402 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2As(CO4)4 _chemical_formula_sum 'Na10 Ni4 As2 C8 O32' _cell_volume 699.74855268 _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 Na Na0 1 0.90374300 0.64837400 0.76296700 1.0 Na Na1 1 0.64979300 0.90474100 0.68287900 1.0 Na Na2 1 0.64837400 0.90374300 0.26296700 1.0 Na Na3 1 0.90474100 0.64979300 0.18287900 1.0 Na Na4 1 0.91044300 0.08955700 0.75000000 1.0 Na Na5 1 0.08955700 0.91044300 0.25000000 1.0 Na Na6 1 0.09525900 0.35020700 0.81712100 1.0 Na Na7 1 0.35162600 0.09625700 0.73703300 1.0 Na Na8 1 0.35020700 0.09525900 0.31712100 1.0 Na Na9 1 0.09625700 0.35162600 0.23703300 1.0 Ni Ni10 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni11 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni12 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni13 1 0.00000000 0.50000000 0.50000000 1.0 As As14 1 0.12714800 0.87285200 0.75000000 1.0 As As15 1 0.87285200 0.12714800 0.25000000 1.0 C C16 1 0.71390400 0.28625100 0.92579100 1.0 C C17 1 0.71751800 0.64319100 0.56839200 1.0 C C18 1 0.35680900 0.28248200 0.93160800 1.0 C C19 1 0.71374900 0.28609600 0.57420900 1.0 C C20 1 0.28625100 0.71390400 0.42579100 1.0 C C21 1 0.64319100 0.71751800 0.06839200 1.0 C C22 1 0.28609600 0.71374900 0.07420900 1.0 C C23 1 0.28248200 0.35680900 0.43160800 1.0 O O24 1 0.64711500 0.86029000 0.95243000 1.0 O O25 1 0.69184100 0.64692100 0.70770900 1.0 O O26 1 0.85724400 0.39844500 0.79018500 1.0 O O27 1 0.40422700 0.68709900 0.96541800 1.0 O O28 1 0.86029000 0.64711500 0.45243000 1.0 O O29 1 0.33730200 0.95368700 0.60606500 1.0 O O30 1 0.05599600 0.94305900 0.89265300 1.0 O O31 1 0.60540400 0.64567900 0.53870800 1.0 O O32 1 0.68992000 0.14166800 0.95896200 1.0 O O33 1 0.35432100 0.39459600 0.96129200 1.0 O O34 1 0.85833200 0.31008000 0.54103800 1.0 O O35 1 0.05694100 0.94400400 0.60734700 1.0 O O36 1 0.04631300 0.66269800 0.89393500 1.0 O O37 1 0.39844500 0.85724400 0.29018500 1.0 O O38 1 0.64692100 0.69184100 0.20770900 1.0 O O39 1 0.68709900 0.40422700 0.46541800 1.0 O O40 1 0.31290100 0.59577300 0.53458200 1.0 O O41 1 0.35307900 0.30815900 0.79229100 1.0 O O42 1 0.60155500 0.14275600 0.70981500 1.0 O O43 1 0.94305900 0.05599600 0.39265300 1.0 O O44 1 0.95368700 0.33730200 0.10606500 1.0 O O45 1 0.14166800 0.68992000 0.45896200 1.0 O O46 1 0.64567900 0.60540400 0.03870800 1.0 O O47 1 0.31008000 0.85833200 0.04103800 1.0 O O48 1 0.39459600 0.35432100 0.46129200 1.0 O O49 1 0.94400400 0.05694100 0.10734700 1.0 O O50 1 0.66269800 0.04631300 0.39393500 1.0 O O51 1 0.13971000 0.35288500 0.54757000 1.0 O O52 1 0.59577300 0.31290100 0.03458200 1.0 O O53 1 0.30815900 0.35307900 0.29229100 1.0 O O54 1 0.14275600 0.60155500 0.20981500 1.0 O O55 1 0.35288500 0.13971000 0.04757000 1.0