# generated using pymatgen data_Ca20Zn8In3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92410470 _cell_length_b 7.92410470 _cell_length_c 15.37057213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20Zn8In3Ga _chemical_formula_sum 'Ca20 Zn8 In3 Ga1' _cell_volume 965.14028543 _cell_formula_units_Z 1 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 0.68077967 0.16965560 0.10284642 1.0 Ca Ca1 1 0.17597709 0.67375578 0.60545544 1.0 Ca Ca2 1 0.31922033 0.83034440 0.10284642 1.0 Ca Ca3 1 0.82402291 0.32624422 0.60545544 1.0 Ca Ca4 1 0.83034440 0.68077967 0.10284642 1.0 Ca Ca5 1 0.32624422 0.17597709 0.60545544 1.0 Ca Ca6 1 0.16965560 0.31922033 0.10284642 1.0 Ca Ca7 1 0.67375578 0.82402291 0.60545544 1.0 Ca Ca8 1 0.83034440 0.31922033 0.89715358 1.0 Ca Ca9 1 0.32624422 0.82402291 0.39454456 1.0 Ca Ca10 1 0.16965560 0.68077967 0.89715358 1.0 Ca Ca11 1 0.67375578 0.17597709 0.39454456 1.0 Ca Ca12 1 0.68077967 0.83034440 0.89715358 1.0 Ca Ca13 1 0.17597709 0.32624422 0.39454456 1.0 Ca Ca14 1 0.31922033 0.16965560 0.89715358 1.0 Ca Ca15 1 0.82402291 0.67375578 0.39454456 1.0 Ca Ca16 1 0.50000000 0.50000000 0.75563077 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25213048 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74786952 1.0 Ca Ca19 1 0.50000000 0.50000000 0.24436923 1.0 Zn Zn20 1 0.61071040 0.11072046 0.75131947 1.0 Zn Zn21 1 0.11072046 0.61071040 0.24868053 1.0 Zn Zn22 1 0.88927954 0.38928960 0.24868053 1.0 Zn Zn23 1 0.38928960 0.88927954 0.75131947 1.0 Zn Zn24 1 0.88927954 0.61071040 0.75131947 1.0 Zn Zn25 1 0.38928960 0.11072046 0.24868053 1.0 Zn Zn26 1 0.11072046 0.38928960 0.75131947 1.0 Zn Zn27 1 0.61071040 0.88927954 0.24868053 1.0 In In28 1 0.50000000 0.50000000 0.50000000 1.0 In In29 1 0.50000000 0.50000000 0.00000000 1.0 In In30 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga31 1 0.00000000 0.00000000 0.00000000 1.0