# generated using pymatgen data_Ca3Ga2GeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77423067 _cell_length_b 8.04267891 _cell_length_c 14.76381761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ga2GeIr2 _chemical_formula_sum 'Ca12 Ga8 Ge4 Ir8' _cell_volume 685.63587118 _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 0.88783505 0.45522368 0.10981427 1.0 Ca Ca1 1 0.38783505 0.04477632 0.89018573 1.0 Ca Ca2 1 0.61216495 0.95522368 0.39018573 1.0 Ca Ca3 1 0.11216495 0.54477632 0.60981427 1.0 Ca Ca4 1 0.11216495 0.54477632 0.89018573 1.0 Ca Ca5 1 0.61216495 0.95522368 0.10981427 1.0 Ca Ca6 1 0.38783505 0.04477632 0.60981427 1.0 Ca Ca7 1 0.88783505 0.45522368 0.39018573 1.0 Ca Ca8 1 0.38351818 0.30031420 0.25000000 1.0 Ca Ca9 1 0.88351818 0.19968580 0.75000000 1.0 Ca Ca10 1 0.11648182 0.80031420 0.25000000 1.0 Ca Ca11 1 0.61648182 0.69968580 0.75000000 1.0 Ga Ga12 1 0.37771949 0.32612900 0.03875865 1.0 Ga Ga13 1 0.87771949 0.17387100 0.96124135 1.0 Ga Ga14 1 0.12228051 0.82612900 0.46124135 1.0 Ga Ga15 1 0.62228051 0.67387100 0.53875865 1.0 Ga Ga16 1 0.62228051 0.67387100 0.96124135 1.0 Ga Ga17 1 0.12228051 0.82612900 0.03875865 1.0 Ga Ga18 1 0.87771949 0.17387100 0.53875865 1.0 Ga Ga19 1 0.37771949 0.32612900 0.46124135 1.0 Ge Ge20 1 0.91340529 0.14572822 0.25000000 1.0 Ge Ge21 1 0.41340529 0.35427178 0.75000000 1.0 Ge Ge22 1 0.58659471 0.64572822 0.25000000 1.0 Ge Ge23 1 0.08659471 0.85427178 0.75000000 1.0 Ir Ir24 1 0.11262840 0.11305151 0.10029263 1.0 Ir Ir25 1 0.61262840 0.38694849 0.89970737 1.0 Ir Ir26 1 0.38737160 0.61305151 0.39970737 1.0 Ir Ir27 1 0.88737160 0.88694849 0.60029263 1.0 Ir Ir28 1 0.88737160 0.88694849 0.89970737 1.0 Ir Ir29 1 0.38737160 0.61305151 0.10029263 1.0 Ir Ir30 1 0.61262840 0.38694849 0.60029263 1.0 Ir Ir31 1 0.11262840 0.11305151 0.39970737 1.0