# generated using pymatgen data_Ca7Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72650200 _cell_length_b 18.10714000 _cell_length_c 20.81255200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7Au3 _chemical_formula_sum 'Ca56 Au24' _cell_volume 2534.92124412 _cell_formula_units_Z 8 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 0.04326800 0.81459200 0.21682400 1.0 Ca Ca1 1 0.54326800 0.18540800 0.28317600 1.0 Ca Ca2 1 0.45673200 0.31459200 0.78317600 1.0 Ca Ca3 1 0.95673200 0.68540800 0.71682400 1.0 Ca Ca4 1 0.95673200 0.18540800 0.78317600 1.0 Ca Ca5 1 0.45673200 0.81459200 0.71682400 1.0 Ca Ca6 1 0.54326800 0.68540800 0.21682400 1.0 Ca Ca7 1 0.04326800 0.31459200 0.28317600 1.0 Ca Ca8 1 0.05224100 0.81116200 0.02996200 1.0 Ca Ca9 1 0.55224100 0.18883800 0.47003800 1.0 Ca Ca10 1 0.44775900 0.31116200 0.97003800 1.0 Ca Ca11 1 0.94775900 0.68883800 0.52996200 1.0 Ca Ca12 1 0.94775900 0.18883800 0.97003800 1.0 Ca Ca13 1 0.44775900 0.81116200 0.52996200 1.0 Ca Ca14 1 0.55224100 0.68883800 0.02996200 1.0 Ca Ca15 1 0.05224100 0.31116200 0.47003800 1.0 Ca Ca16 1 0.54469000 0.87488100 0.12490800 1.0 Ca Ca17 1 0.04469000 0.12511900 0.37509200 1.0 Ca Ca18 1 0.95531000 0.37488100 0.87509200 1.0 Ca Ca19 1 0.45531000 0.62511900 0.62490800 1.0 Ca Ca20 1 0.45531000 0.12511900 0.87509200 1.0 Ca Ca21 1 0.95531000 0.87488100 0.62490800 1.0 Ca Ca22 1 0.04469000 0.62511900 0.12490800 1.0 Ca Ca23 1 0.54469000 0.37488100 0.37509200 1.0 Ca Ca24 1 0.75183900 0.78873300 0.37389400 1.0 Ca Ca25 1 0.25183900 0.21126700 0.12610600 1.0 Ca Ca26 1 0.74816100 0.28873300 0.62610600 1.0 Ca Ca27 1 0.24816100 0.71126700 0.87389400 1.0 Ca Ca28 1 0.24816100 0.21126700 0.62610600 1.0 Ca Ca29 1 0.74816100 0.78873300 0.87389400 1.0 Ca Ca30 1 0.25183900 0.71126700 0.37389400 1.0 Ca Ca31 1 0.75183900 0.28873300 0.12610600 1.0 Ca Ca32 1 0.73018300 0.97891500 0.28269300 1.0 Ca Ca33 1 0.23018300 0.02108500 0.21730700 1.0 Ca Ca34 1 0.76981700 0.47891500 0.71730700 1.0 Ca Ca35 1 0.26981700 0.52108500 0.78269300 1.0 Ca Ca36 1 0.26981700 0.02108500 0.71730700 1.0 Ca Ca37 1 0.76981700 0.97891500 0.78269300 1.0 Ca Ca38 1 0.23018300 0.52108500 0.28269300 1.0 Ca Ca39 1 0.73018300 0.47891500 0.21730700 1.0 Ca Ca40 1 0.74913900 0.97917000 0.47206300 1.0 Ca Ca41 1 0.24913900 0.02083000 0.02793700 1.0 Ca Ca42 1 0.75086100 0.47917000 0.52793700 1.0 Ca Ca43 1 0.25086100 0.52083000 0.97206300 1.0 Ca Ca44 1 0.25086100 0.02083000 0.52793700 1.0 Ca Ca45 1 0.75086100 0.97917000 0.97206300 1.0 Ca Ca46 1 0.24913900 0.52083000 0.47206300 1.0 Ca Ca47 1 0.74913900 0.47917000 0.02793700 1.0 Ca Ca48 1 0.24557300 0.91715800 0.37297300 1.0 Ca Ca49 1 0.74557300 0.08284200 0.12702700 1.0 Ca Ca50 1 0.25442700 0.41715800 0.62702700 1.0 Ca Ca51 1 0.75442700 0.58284200 0.87297300 1.0 Ca Ca52 1 0.75442700 0.08284200 0.62702700 1.0 Ca Ca53 1 0.25442700 0.91715800 0.87297300 1.0 Ca Ca54 1 0.74557300 0.58284200 0.37297300 1.0 Ca Ca55 1 0.24557300 0.41715800 0.12702700 1.0 Au Au56 1 0.96713800 0.93973300 0.11930600 1.0 Au Au57 1 0.46713800 0.06026700 0.38069400 1.0 Au Au58 1 0.53286200 0.43973300 0.88069400 1.0 Au Au59 1 0.03286200 0.56026700 0.61930600 1.0 Au Au60 1 0.03286200 0.06026700 0.88069400 1.0 Au Au61 1 0.53286200 0.93973300 0.61930600 1.0 Au Au62 1 0.46713800 0.56026700 0.11930600 1.0 Au Au63 1 0.96713800 0.43973300 0.38069400 1.0 Au Au64 1 0.46896100 0.84084200 0.26774200 1.0 Au Au65 1 0.96896100 0.15915800 0.23225800 1.0 Au Au66 1 0.03103900 0.34084200 0.73225800 1.0 Au Au67 1 0.53103900 0.65915800 0.76774200 1.0 Au Au68 1 0.53103900 0.15915800 0.73225800 1.0 Au Au69 1 0.03103900 0.84084200 0.76774200 1.0 Au Au70 1 0.96896100 0.65915800 0.26774200 1.0 Au Au71 1 0.46896100 0.34084200 0.23225800 1.0 Au Au72 1 0.02786600 0.84527300 0.48079100 1.0 Au Au73 1 0.52786600 0.15472700 0.01920900 1.0 Au Au74 1 0.47213400 0.34527300 0.51920900 1.0 Au Au75 1 0.97213400 0.65472700 0.98079100 1.0 Au Au76 1 0.97213400 0.15472700 0.51920900 1.0 Au Au77 1 0.47213400 0.84527300 0.98079100 1.0 Au Au78 1 0.52786600 0.65472700 0.48079100 1.0 Au Au79 1 0.02786600 0.34527300 0.01920900 1.0