# generated using pymatgen data_Li23(MnAs)20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43672200 _cell_length_b 4.43672200 _cell_length_c 55.40841300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li23(MnAs)20 _chemical_formula_sum 'Li23 Mn20 As20' _cell_volume 1090.68702235 _cell_formula_units_Z 1 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 0.05044100 1.0 Li Li1 1 0.00000000 0.50000000 0.14998100 1.0 Li Li2 1 0.00000000 0.50000000 0.24995200 1.0 Li Li3 1 0.00000000 0.50000000 0.44996700 1.0 Li Li4 1 0.00000000 0.50000000 0.64908000 1.0 Li Li5 1 0.00000000 0.50000000 0.75002600 1.0 Li Li6 1 0.00000000 0.50000000 0.85097500 1.0 Li Li7 1 0.00000000 0.00000000 0.82604100 1.0 Li Li8 1 0.50000000 0.00000000 0.05044100 1.0 Li Li9 1 0.50000000 0.00000000 0.24995200 1.0 Li Li10 1 0.50000000 0.00000000 0.14998100 1.0 Li Li11 1 0.50000000 0.00000000 0.35002400 1.0 Li Li12 1 0.50000000 0.00000000 0.55001100 1.0 Li Li13 1 0.50000000 0.00000000 0.44996700 1.0 Li Li14 1 0.50000000 0.00000000 0.75002600 1.0 Li Li15 1 0.50000000 0.00000000 0.64908000 1.0 Li Li16 1 0.50000000 0.50000000 0.67399300 1.0 Li Li17 1 0.50000000 0.00000000 0.85097500 1.0 Li Li18 1 0.50000000 0.00000000 0.94883300 1.0 Li Li19 1 0.50000000 0.50000000 0.97377300 1.0 Li Li20 1 0.00000000 0.50000000 0.35002400 1.0 Li Li21 1 0.00000000 0.50000000 0.55001100 1.0 Li Li22 1 0.00000000 0.50000000 0.94883300 1.0 Mn Mn23 1 0.00000000 0.50000000 0.00127200 1.0 Mn Mn24 1 0.00000000 0.50000000 0.10005900 1.0 Mn Mn25 1 0.00000000 0.50000000 0.19997800 1.0 Mn Mn26 1 0.00000000 0.50000000 0.30006500 1.0 Mn Mn27 1 0.00000000 0.50000000 0.39999600 1.0 Mn Mn28 1 0.00000000 0.50000000 0.49996000 1.0 Mn Mn29 1 0.00000000 0.50000000 0.59972800 1.0 Mn Mn30 1 0.00000000 0.50000000 0.79875200 1.0 Mn Mn31 1 0.00000000 0.50000000 0.89992900 1.0 Mn Mn32 1 0.50000000 0.00000000 0.00127200 1.0 Mn Mn33 1 0.50000000 0.00000000 0.19997800 1.0 Mn Mn34 1 0.50000000 0.00000000 0.10005900 1.0 Mn Mn35 1 0.50000000 0.00000000 0.39999600 1.0 Mn Mn36 1 0.50000000 0.00000000 0.30006500 1.0 Mn Mn37 1 0.50000000 0.00000000 0.49996000 1.0 Mn Mn38 1 0.50000000 0.00000000 0.70130000 1.0 Mn Mn39 1 0.50000000 0.00000000 0.59972800 1.0 Mn Mn40 1 0.50000000 0.00000000 0.89992900 1.0 Mn Mn41 1 0.50000000 0.00000000 0.79875200 1.0 Mn Mn42 1 0.00000000 0.50000000 0.70130000 1.0 As As43 1 0.00000000 0.00000000 0.07746900 1.0 As As44 1 0.00000000 0.00000000 0.17703500 1.0 As As45 1 0.00000000 0.00000000 0.27707000 1.0 As As46 1 0.00000000 0.00000000 0.57695600 1.0 As As47 1 0.00000000 0.00000000 0.77538200 1.0 As As48 1 0.00000000 0.00000000 0.87676800 1.0 As As49 1 0.50000000 0.50000000 0.02488400 1.0 As As50 1 0.50000000 0.50000000 0.12267900 1.0 As As51 1 0.50000000 0.50000000 0.22295300 1.0 As As52 1 0.50000000 0.50000000 0.42291100 1.0 As As53 1 0.50000000 0.50000000 0.32294500 1.0 As As54 1 0.50000000 0.50000000 0.52290600 1.0 As As55 1 0.50000000 0.50000000 0.62302000 1.0 As As56 1 0.50000000 0.50000000 0.82317200 1.0 As As57 1 0.50000000 0.50000000 0.92311100 1.0 As As58 1 0.50000000 0.50000000 0.72471200 1.0 As As59 1 0.00000000 0.00000000 0.37707000 1.0 As As60 1 0.00000000 0.00000000 0.47707700 1.0 As As61 1 0.00000000 0.00000000 0.67679000 1.0 As As62 1 0.00000000 0.00000000 0.97662300 1.0