# generated using pymatgen data_Ca2MgInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48189419 _cell_length_b 7.38772245 _cell_length_c 8.58686880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MgInAu2 _chemical_formula_sum 'Ca4 Mg2 In2 Au4' _cell_volume 284.31972927 _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 0.75000000 0.96061077 0.67651809 1.0 Ca Ca1 1 0.25000000 0.03101313 0.32208290 1.0 Ca Ca2 1 0.75000000 0.46898687 0.82208290 1.0 Ca Ca3 1 0.25000000 0.53938923 0.17651809 1.0 Mg Mg4 1 0.75000000 0.36242148 0.44219823 1.0 Mg Mg5 1 0.25000000 0.13757852 0.94219823 1.0 In In6 1 0.25000000 0.64179891 0.55799321 1.0 In In7 1 0.75000000 0.85820109 0.05799321 1.0 Au Au8 1 0.25000000 0.76363373 0.87243115 1.0 Au Au9 1 0.25000000 0.25873800 0.62877643 1.0 Au Au10 1 0.75000000 0.73636627 0.37243115 1.0 Au Au11 1 0.75000000 0.24126200 0.12877643 1.0