# generated using pymatgen data_Ca10Mg2Sb9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.93938600 _cell_length_b 11.93938600 _cell_length_c 17.37753100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca10Mg2Sb9 _chemical_formula_sum 'Ca40 Mg8 Sb36' _cell_volume 2477.14859010 _cell_formula_units_Z 4 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 0.98549100 0.66127200 0.39708800 1.0 Ca Ca1 1 0.98549100 0.66127200 0.60291200 1.0 Ca Ca2 1 0.24876900 0.51105000 0.69187400 1.0 Ca Ca3 1 0.01105000 0.25123100 0.19187400 1.0 Ca Ca4 1 0.01450900 0.33872800 0.60291200 1.0 Ca Ca5 1 0.50000000 0.50000000 0.86112800 1.0 Ca Ca6 1 0.48549100 0.83872800 0.10291200 1.0 Ca Ca7 1 0.74876900 0.98895000 0.80812600 1.0 Ca Ca8 1 0.51105000 0.24876900 0.69187400 1.0 Ca Ca9 1 0.01450900 0.33872800 0.39708800 1.0 Ca Ca10 1 0.50000000 0.50000000 0.13887200 1.0 Ca Ca11 1 0.48895000 0.75123100 0.30812600 1.0 Ca Ca12 1 0.66127200 0.98549100 0.60291200 1.0 Ca Ca13 1 0.66127200 0.98549100 0.39708800 1.0 Ca Ca14 1 0.75123100 0.48895000 0.69187400 1.0 Ca Ca15 1 0.98895000 0.74876900 0.19187400 1.0 Ca Ca16 1 0.18208200 0.81791800 0.00000000 1.0 Ca Ca17 1 0.00000000 0.00000000 0.63887200 1.0 Ca Ca18 1 0.51450900 0.16127200 0.89708800 1.0 Ca Ca19 1 0.25123100 0.01105000 0.80812600 1.0 Ca Ca20 1 0.31791800 0.31791800 0.50000000 1.0 Ca Ca21 1 0.00000000 0.00000000 0.36112800 1.0 Ca Ca22 1 0.01105000 0.25123100 0.80812600 1.0 Ca Ca23 1 0.48549100 0.83872800 0.89708800 1.0 Ca Ca24 1 0.75123100 0.48895000 0.30812600 1.0 Ca Ca25 1 0.83872800 0.48549100 0.10291200 1.0 Ca Ca26 1 0.33872800 0.01450900 0.60291200 1.0 Ca Ca27 1 0.48895000 0.75123100 0.69187400 1.0 Ca Ca28 1 0.74876900 0.98895000 0.19187400 1.0 Ca Ca29 1 0.33872800 0.01450900 0.39708800 1.0 Ca Ca30 1 0.98895000 0.74876900 0.80812600 1.0 Ca Ca31 1 0.51105000 0.24876900 0.30812600 1.0 Ca Ca32 1 0.83872800 0.48549100 0.89708800 1.0 Ca Ca33 1 0.16127200 0.51450900 0.89708800 1.0 Ca Ca34 1 0.68208200 0.68208200 0.50000000 1.0 Ca Ca35 1 0.24876900 0.51105000 0.30812600 1.0 Ca Ca36 1 0.16127200 0.51450900 0.10291200 1.0 Ca Ca37 1 0.51450900 0.16127200 0.10291200 1.0 Ca Ca38 1 0.81791800 0.18208200 0.00000000 1.0 Ca Ca39 1 0.25123100 0.01105000 0.19187400 1.0 Mg Mg40 1 0.78872200 0.21127800 0.50000000 1.0 Mg Mg41 1 0.28872200 0.28872200 0.00000000 1.0 Mg Mg42 1 0.71127800 0.71127800 0.00000000 1.0 Mg Mg43 1 0.21127800 0.78872200 0.50000000 1.0 Mg Mg44 1 0.10090500 0.10090500 0.00000000 1.0 Mg Mg45 1 0.39909500 0.60090500 0.50000000 1.0 Mg Mg46 1 0.60090500 0.39909500 0.50000000 1.0 Mg Mg47 1 0.89909500 0.89909500 0.00000000 1.0 Sb Sb48 1 0.81199000 0.18801000 0.33047800 1.0 Sb Sb49 1 0.50000000 0.50000000 0.63390800 1.0 Sb Sb50 1 0.28067000 0.71933000 0.17788800 1.0 Sb Sb51 1 0.71933000 0.28067000 0.17788800 1.0 Sb Sb52 1 0.63194400 0.36805600 0.00000000 1.0 Sb Sb53 1 0.00000000 0.50000000 0.25000000 1.0 Sb Sb54 1 0.81199000 0.18801000 0.66952200 1.0 Sb Sb55 1 0.31199000 0.31199000 0.16952200 1.0 Sb Sb56 1 0.66698100 0.96730900 0.00000000 1.0 Sb Sb57 1 0.18801000 0.81199000 0.33047800 1.0 Sb Sb58 1 0.50000000 0.00000000 0.25000000 1.0 Sb Sb59 1 0.78067000 0.78067000 0.67788800 1.0 Sb Sb60 1 0.50000000 0.00000000 0.75000000 1.0 Sb Sb61 1 0.50000000 0.50000000 0.36609200 1.0 Sb Sb62 1 0.00000000 0.00000000 0.86609200 1.0 Sb Sb63 1 0.71933000 0.28067000 0.82211200 1.0 Sb Sb64 1 0.21933000 0.21933000 0.67788800 1.0 Sb Sb65 1 0.18801000 0.81199000 0.66952200 1.0 Sb Sb66 1 0.96730900 0.66698100 0.00000000 1.0 Sb Sb67 1 0.78067000 0.78067000 0.32211200 1.0 Sb Sb68 1 0.46730900 0.83301900 0.50000000 1.0 Sb Sb69 1 0.16698100 0.53269100 0.50000000 1.0 Sb Sb70 1 0.68801000 0.68801000 0.16952200 1.0 Sb Sb71 1 0.86805600 0.86805600 0.50000000 1.0 Sb Sb72 1 0.33301900 0.03269100 0.00000000 1.0 Sb Sb73 1 0.83301900 0.46730900 0.50000000 1.0 Sb Sb74 1 0.36805600 0.63194400 0.00000000 1.0 Sb Sb75 1 0.53269100 0.16698100 0.50000000 1.0 Sb Sb76 1 0.03269100 0.33301900 0.00000000 1.0 Sb Sb77 1 0.21933000 0.21933000 0.32211200 1.0 Sb Sb78 1 0.68801000 0.68801000 0.83047800 1.0 Sb Sb79 1 0.13194400 0.13194400 0.50000000 1.0 Sb Sb80 1 0.00000000 0.50000000 0.75000000 1.0 Sb Sb81 1 0.28067000 0.71933000 0.82211200 1.0 Sb Sb82 1 0.31199000 0.31199000 0.83047800 1.0 Sb Sb83 1 0.00000000 0.00000000 0.13390800 1.0