# generated using pymatgen data_Cr12Ga2(CoS8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.62151263 _cell_length_b 15.62151263 _cell_length_c 15.62151263 _cell_angle_alpha 154.08745586 _cell_angle_beta 154.08745586 _cell_angle_gamma 36.97250166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr12Ga2(CoS8)3 _chemical_formula_sum 'Cr12 Ga2 Co3 S24' _cell_volume 726.97652682 _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 Cr Cr0 1 0.37589300 0.11935700 0.74346300 1.0 Cr Cr1 1 0.70935600 0.45918600 0.74983000 1.0 Cr Cr2 1 0.04292400 0.77891600 0.73599200 1.0 Cr Cr3 1 0.04292400 0.30693200 0.26400800 1.0 Cr Cr4 1 0.37589300 0.63243000 0.25653700 1.0 Cr Cr5 1 0.70935600 0.95952700 0.25017000 1.0 Cr Cr6 1 0.88064300 0.62410700 0.25653700 1.0 Cr Cr7 1 0.22108400 0.95707600 0.26400800 1.0 Cr Cr8 1 0.54081400 0.29064400 0.25017000 1.0 Cr Cr9 1 0.36757000 0.62410700 0.74346300 1.0 Cr Cr10 1 0.69306800 0.95707600 0.73599200 1.0 Cr Cr11 1 0.04047300 0.29064400 0.74983000 1.0 Ga Ga12 1 0.91759800 0.41759800 0.50000000 1.0 Ga Ga13 1 0.58240200 0.08240200 0.50000000 1.0 Co Co14 1 0.83231300 0.83231300 0.00000000 1.0 Co Co15 1 0.16768700 0.16768700 0.00000000 1.0 Co Co16 1 0.25000000 0.75000000 0.50000000 1.0 S S17 1 0.45505000 0.72135700 0.26630600 1.0 S S18 1 0.78931400 0.05436600 0.26505200 1.0 S S19 1 0.12330900 0.38572000 0.26241200 1.0 S S20 1 0.45505000 0.18874400 0.73369400 1.0 S S21 1 0.78931400 0.52426100 0.73494800 1.0 S S22 1 0.12330900 0.86089700 0.73758800 1.0 S S23 1 0.27864300 0.54495000 0.73369400 1.0 S S24 1 0.61428000 0.87669100 0.73758800 1.0 S S25 1 0.94563400 0.21068600 0.73494800 1.0 S S26 1 0.81125600 0.54495000 0.26630600 1.0 S S27 1 0.13910300 0.87669100 0.26241200 1.0 S S28 1 0.47573900 0.21068600 0.26505200 1.0 S S29 1 0.96170700 0.19212800 0.23042100 1.0 S S30 1 0.29365900 0.52974200 0.23608400 1.0 S S31 1 0.62820200 0.85852600 0.23032400 1.0 S S32 1 0.96170700 0.73128700 0.76957900 1.0 S S33 1 0.29365900 0.05757500 0.76391600 1.0 S S34 1 0.62820200 0.39787800 0.76967600 1.0 S S35 1 0.14147400 0.37179800 0.76967600 1.0 S S36 1 0.47025800 0.70634100 0.76391600 1.0 S S37 1 0.80787200 0.03829300 0.76957900 1.0 S S38 1 0.60212200 0.37179800 0.23032400 1.0 S S39 1 0.94242500 0.70634100 0.23608400 1.0 S S40 1 0.26871300 0.03829300 0.23042100 1.0