# generated using pymatgen data_Ba14Na8CaN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47009555 _cell_length_b 11.47009555 _cell_length_c 21.67637000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba14Na8CaN6 _chemical_formula_sum 'Ba28 Na16 Ca2 N12' _cell_volume 2469.74019555 _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 Ba Ba0 1 0.25461300 0.29040600 0.04982400 1.0 Ba Ba1 1 0.25461300 0.29040600 0.45017600 1.0 Ba Ba2 1 0.32931900 0.37699800 0.63839600 1.0 Ba Ba3 1 0.32931900 0.37699800 0.86160400 1.0 Ba Ba4 1 0.04767900 0.67068100 0.86160400 1.0 Ba Ba5 1 0.04767900 0.67068100 0.63839600 1.0 Ba Ba6 1 0.03579300 0.74538700 0.45017600 1.0 Ba Ba7 1 0.03579300 0.74538700 0.04982400 1.0 Ba Ba8 1 0.00000000 0.00000000 0.84848400 1.0 Ba Ba9 1 0.00000000 0.00000000 0.65151600 1.0 Ba Ba10 1 0.00000000 0.00000000 0.34848400 1.0 Ba Ba11 1 0.00000000 0.00000000 0.15151600 1.0 Ba Ba12 1 0.29040600 0.03579300 0.95017600 1.0 Ba Ba13 1 0.29040600 0.03579300 0.54982400 1.0 Ba Ba14 1 0.37699800 0.04767900 0.13839600 1.0 Ba Ba15 1 0.37699800 0.04767900 0.36160400 1.0 Ba Ba16 1 0.62300200 0.95232100 0.63839600 1.0 Ba Ba17 1 0.62300200 0.95232100 0.86160400 1.0 Ba Ba18 1 0.70959400 0.96420700 0.45017600 1.0 Ba Ba19 1 0.70959400 0.96420700 0.04982400 1.0 Ba Ba20 1 0.96420700 0.25461300 0.95017600 1.0 Ba Ba21 1 0.96420700 0.25461300 0.54982400 1.0 Ba Ba22 1 0.95232100 0.32931900 0.13839600 1.0 Ba Ba23 1 0.95232100 0.32931900 0.36160400 1.0 Ba Ba24 1 0.67068100 0.62300200 0.13839600 1.0 Ba Ba25 1 0.67068100 0.62300200 0.36160400 1.0 Ba Ba26 1 0.74538700 0.70959400 0.95017600 1.0 Ba Ba27 1 0.74538700 0.70959400 0.54982400 1.0 Na Na28 1 0.31416700 0.35315900 0.25000000 1.0 Na Na29 1 0.03899200 0.68583300 0.25000000 1.0 Na Na30 1 0.33333300 0.66666700 0.99088500 1.0 Na Na31 1 0.33333300 0.66666700 0.75000000 1.0 Na Na32 1 0.33333300 0.66666700 0.50911500 1.0 Na Na33 1 0.33333300 0.66666700 0.33537400 1.0 Na Na34 1 0.33333300 0.66666700 0.16462600 1.0 Na Na35 1 0.35315900 0.03899200 0.75000000 1.0 Na Na36 1 0.64684100 0.96100800 0.25000000 1.0 Na Na37 1 0.66666700 0.33333300 0.66462600 1.0 Na Na38 1 0.66666700 0.33333300 0.49088500 1.0 Na Na39 1 0.66666700 0.33333300 0.25000000 1.0 Na Na40 1 0.66666700 0.33333300 0.00911500 1.0 Na Na41 1 0.66666700 0.33333300 0.83537400 1.0 Na Na42 1 0.96100800 0.31416700 0.75000000 1.0 Na Na43 1 0.68583300 0.64684100 0.75000000 1.0 Ca Ca44 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca45 1 0.00000000 0.00000000 0.50000000 1.0 N N46 1 0.16832200 0.19372700 0.93168800 1.0 N N47 1 0.16832200 0.19372700 0.56831200 1.0 N N48 1 0.02540500 0.83167800 0.93168800 1.0 N N49 1 0.02540500 0.83167800 0.56831200 1.0 N N50 1 0.19372700 0.02540500 0.43168800 1.0 N N51 1 0.19372700 0.02540500 0.06831200 1.0 N N52 1 0.80627300 0.97459500 0.93168800 1.0 N N53 1 0.80627300 0.97459500 0.56831200 1.0 N N54 1 0.97459500 0.16832200 0.06831200 1.0 N N55 1 0.97459500 0.16832200 0.43168800 1.0 N N56 1 0.83167800 0.80627300 0.43168800 1.0 N N57 1 0.83167800 0.80627300 0.06831200 1.0