# generated using pymatgen data_Sc2Mn12GaGe11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10300990 _cell_length_b 5.10293153 _cell_length_c 16.27929684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99965649 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Mn12GaGe11 _chemical_formula_sum 'Sc2 Mn12 Ga1 Ge11' _cell_volume 367.12497430 _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 Sc Sc0 1 0.66666641 0.33333296 0.75046349 1.0 Sc Sc1 1 0.66666641 0.33333296 0.24953651 1.0 Mn Mn2 1 0.16735803 0.33471399 0.62667055 1.0 Mn Mn3 1 0.16652471 0.33305683 0.12442161 1.0 Mn Mn4 1 0.66527952 0.83263912 0.62665940 1.0 Mn Mn5 1 0.66690937 0.83345484 0.12442127 1.0 Mn Mn6 1 0.16735863 0.83264338 0.62667013 1.0 Mn Mn7 1 0.16652446 0.83346776 0.12442167 1.0 Mn Mn8 1 0.16735803 0.33471399 0.37332945 1.0 Mn Mn9 1 0.16652471 0.33305683 0.87557839 1.0 Mn Mn10 1 0.66527952 0.83263912 0.37334060 1.0 Mn Mn11 1 0.66690937 0.83345484 0.87557873 1.0 Mn Mn12 1 0.16735863 0.83264338 0.37332987 1.0 Mn Mn13 1 0.16652446 0.83346776 0.87557833 1.0 Ga Ga14 1 0.00008429 0.00004319 0.50000000 1.0 Ge Ge15 1 -0.00001283 -0.00000485 0.24922475 1.0 Ge Ge16 1 -0.00001283 -0.00000485 0.75077525 1.0 Ge Ge17 1 0.33334398 0.66667057 0.75117440 1.0 Ge Ge18 1 0.33334398 0.66667057 0.24882560 1.0 Ge Ge19 1 0.66666903 0.33333410 0.58120090 1.0 Ge Ge20 1 0.66666606 0.33333273 0.08070197 1.0 Ge Ge21 1 0.66666903 0.33333410 0.41879910 1.0 Ge Ge22 1 0.66666606 0.33333273 0.91929803 1.0 Ge Ge23 1 -0.00001253 -0.00000436 -0.00000000 1.0 Ge Ge24 1 0.33334755 0.66667301 0.50000000 1.0 Ge Ge25 1 0.33334195 0.66666932 -0.00000000 1.0