# generated using pymatgen data_Ca4In3Au10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58439825 _cell_length_b 8.58439825 _cell_length_c 10.19086865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.94990638 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4In3Au10 _chemical_formula_sum 'Ca8 In6 Au20' _cell_volume 714.43123579 _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 0.69578829 0.30421171 -0.00000000 1.0 Ca Ca1 1 0.19578829 0.80421171 0.50000000 1.0 Ca Ca2 1 0.80335150 0.80335150 0.29769266 1.0 Ca Ca3 1 0.30335150 0.30335150 0.20230734 1.0 Ca Ca4 1 0.80421171 0.19578829 0.50000000 1.0 Ca Ca5 1 0.30421171 0.69578829 -0.00000000 1.0 Ca Ca6 1 0.69664850 0.69664850 0.79769266 1.0 Ca Ca7 1 0.19664850 0.19664850 0.70230734 1.0 In In8 1 0.51825507 0.01825507 0.25000000 1.0 In In9 1 0.98174493 0.48174493 0.75000000 1.0 In In10 1 -0.00000000 -0.00000000 -0.00000000 1.0 In In11 1 0.01825507 0.51825507 0.25000000 1.0 In In12 1 0.48174493 0.98174493 0.75000000 1.0 In In13 1 0.50000000 0.50000000 0.50000000 1.0 Au Au14 1 0.15245618 0.43611309 0.48356277 1.0 Au Au15 1 0.90101873 0.90101873 0.59635203 1.0 Au Au16 1 0.56388691 0.84754382 0.51643723 1.0 Au Au17 1 0.88292508 0.16804313 0.20681448 1.0 Au Au18 1 0.38292508 0.66804313 0.29318552 1.0 Au Au19 1 0.66804313 0.38292508 0.29318552 1.0 Au Au20 1 0.40101873 0.40101873 0.90364797 1.0 Au Au21 1 0.93611309 0.65245618 0.01643723 1.0 Au Au22 1 0.33195687 0.61707492 0.70681448 1.0 Au Au23 1 0.34754382 0.06388691 0.98356277 1.0 Au Au24 1 0.59898127 0.59898127 0.09635203 1.0 Au Au25 1 0.65245618 0.93611309 0.01643723 1.0 Au Au26 1 0.09898127 0.09898127 0.40364797 1.0 Au Au27 1 0.61707492 0.33195687 0.70681448 1.0 Au Au28 1 0.11707492 0.83195687 0.79318552 1.0 Au Au29 1 0.06388691 0.34754382 0.98356277 1.0 Au Au30 1 0.84754382 0.56388691 0.51643723 1.0 Au Au31 1 0.16804313 0.88292508 0.20681448 1.0 Au Au32 1 0.43611309 0.15245618 0.48356277 1.0 Au Au33 1 0.83195687 0.11707492 0.79318552 1.0