# generated using pymatgen data_Ca21(Mn2Sb9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.12829976 _cell_length_b 12.12829976 _cell_length_c 17.08249548 _cell_angle_alpha 88.53489630 _cell_angle_beta 88.53489630 _cell_angle_gamma 87.50880783 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca21(Mn2Sb9)2 _chemical_formula_sum 'Ca42 Mn8 Sb36' _cell_volume 2508.81284787 _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 Ca Ca0 1 0.67852800 0.00460200 0.93604800 1.0 Ca Ca1 1 0.50494500 0.77315600 0.55769300 1.0 Ca Ca2 1 0.32147200 0.99539800 0.06395200 1.0 Ca Ca3 1 0.77315600 0.50494500 0.55769300 1.0 Ca Ca4 1 0.07562100 0.43241900 0.25648400 1.0 Ca Ca5 1 0.57464700 0.25922500 0.85027800 1.0 Ca Ca6 1 0.42051200 0.75009700 0.35439300 1.0 Ca Ca7 1 0.09914300 0.75745900 0.34160900 1.0 Ca Ca8 1 0.26923900 0.50817800 0.07658600 1.0 Ca Ca9 1 0.43241900 0.07562100 0.25648400 1.0 Ca Ca10 1 0.75745900 0.09914300 0.34160900 1.0 Ca Ca11 1 0.24254100 0.90085700 0.65839100 1.0 Ca Ca12 1 0.22684400 0.49505500 0.44230700 1.0 Ca Ca13 1 0.82253800 0.07117400 0.11818800 1.0 Ca Ca14 1 0.90085700 0.24254100 0.65839100 1.0 Ca Ca15 1 0.74077500 0.42535300 0.14972200 1.0 Ca Ca16 1 0.99008100 0.24226900 0.44306800 1.0 Ca Ca17 1 0.07117400 0.82253800 0.11818800 1.0 Ca Ca18 1 0.75773100 0.00991900 0.55693200 1.0 Ca Ca19 1 0.56758100 0.92437900 0.74351600 1.0 Ca Ca20 1 0.90357200 0.90357200 0.75507400 1.0 Ca Ca21 1 0.49505500 0.22684400 0.44230700 1.0 Ca Ca22 1 0.25922500 0.57464700 0.85027800 1.0 Ca Ca23 1 0.24990300 0.57948800 0.64560700 1.0 Ca Ca24 1 0.75009700 0.42051200 0.35439300 1.0 Ca Ca25 1 0.99539800 0.32147200 0.06395200 1.0 Ca Ca26 1 0.00991900 0.75773100 0.55693200 1.0 Ca Ca27 1 0.42535300 0.74077500 0.14972200 1.0 Ca Ca28 1 0.17746200 0.92882600 0.88181200 1.0 Ca Ca29 1 0.50817800 0.26923900 0.07658600 1.0 Ca Ca30 1 0.76627600 0.76627600 0.41175800 1.0 Ca Ca31 1 0.00460200 0.67852800 0.93604800 1.0 Ca Ca32 1 0.73076100 0.49182200 0.92341400 1.0 Ca Ca33 1 0.75317700 0.75317700 0.07686200 1.0 Ca Ca34 1 0.24682300 0.24682300 0.92313800 1.0 Ca Ca35 1 0.92882600 0.17746200 0.88181200 1.0 Ca Ca36 1 0.24226900 0.99008100 0.44306800 1.0 Ca Ca37 1 0.92437900 0.56758100 0.74351600 1.0 Ca Ca38 1 0.09642800 0.09642800 0.24492600 1.0 Ca Ca39 1 0.23372400 0.23372400 0.58824200 1.0 Ca Ca40 1 0.49182200 0.73076100 0.92341400 1.0 Ca Ca41 1 0.57948800 0.24990300 0.64560700 1.0 Mn Mn42 1 0.12322000 0.34846100 0.74918200 1.0 Mn Mn43 1 0.50186200 0.50186200 0.70496600 1.0 Mn Mn44 1 0.87678000 0.65153900 0.25081800 1.0 Mn Mn45 1 0.65772500 0.65772500 0.74190300 1.0 Mn Mn46 1 0.34846100 0.12322000 0.74918200 1.0 Mn Mn47 1 0.49813800 0.49813800 0.29503400 1.0 Mn Mn48 1 0.34227500 0.34227500 0.25809700 1.0 Mn Mn49 1 0.65153900 0.87678000 0.25081800 1.0 Sb Sb50 1 0.07547900 0.07547900 0.03523200 1.0 Sb Sb51 1 0.92452100 0.92452100 0.96476800 1.0 Sb Sb52 1 0.74636700 0.74636700 0.87399300 1.0 Sb Sb53 1 0.43093700 0.71276300 0.73907800 1.0 Sb Sb54 1 0.76138600 0.76138600 0.61642100 1.0 Sb Sb55 1 0.28723700 0.56906300 0.26092200 1.0 Sb Sb56 1 0.11960800 0.11960800 0.75720600 1.0 Sb Sb57 1 0.03957000 0.42491500 0.88962600 1.0 Sb Sb58 1 0.45029100 0.45029100 0.93347100 1.0 Sb Sb59 1 0.71276300 0.43093700 0.73907800 1.0 Sb Sb60 1 0.74442700 0.25557300 0.50000000 1.0 Sb Sb61 1 0.57508500 0.96043000 0.11037400 1.0 Sb Sb62 1 0.23861400 0.23861400 0.38357900 1.0 Sb Sb63 1 0.10048400 0.73937800 0.75652100 1.0 Sb Sb64 1 0.03603500 0.03603500 0.57771800 1.0 Sb Sb65 1 0.25517600 0.74482400 0.00000000 1.0 Sb Sb66 1 0.43655400 0.04838500 0.60055800 1.0 Sb Sb67 1 0.88039200 0.88039200 0.24279400 1.0 Sb Sb68 1 0.89951600 0.26062200 0.24347900 1.0 Sb Sb69 1 0.73937800 0.10048400 0.75652100 1.0 Sb Sb70 1 0.56355400 0.56355400 0.44133400 1.0 Sb Sb71 1 0.35034300 0.35034300 0.74870700 1.0 Sb Sb72 1 0.43644600 0.43644600 0.55866600 1.0 Sb Sb73 1 0.54970900 0.54970900 0.06652900 1.0 Sb Sb74 1 0.25557300 0.74442700 0.50000000 1.0 Sb Sb75 1 0.74482400 0.25517600 0.00000000 1.0 Sb Sb76 1 0.25363300 0.25363300 0.12600700 1.0 Sb Sb77 1 0.64965700 0.64965700 0.25129300 1.0 Sb Sb78 1 0.56906300 0.28723700 0.26092200 1.0 Sb Sb79 1 0.26062200 0.89951600 0.24347900 1.0 Sb Sb80 1 0.96043000 0.57508500 0.11037400 1.0 Sb Sb81 1 0.56344600 0.95161500 0.39944200 1.0 Sb Sb82 1 0.96396500 0.96396500 0.42228200 1.0 Sb Sb83 1 0.04838500 0.43655400 0.60055800 1.0 Sb Sb84 1 0.42491500 0.03957000 0.88962600 1.0 Sb Sb85 1 0.95161500 0.56344600 0.39944200 1.0