# generated using pymatgen data_Sc3Mn3Al7Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27620475 _cell_length_b 8.27619962 _cell_length_c 8.91003658 _cell_angle_alpha 89.99999999 _cell_angle_beta 89.99987940 _cell_angle_gamma 119.99997820 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Mn3Al7Si5 _chemical_formula_sum 'Sc6 Mn6 Al14 Si10' _cell_volume 528.53335169 _cell_formula_units_Z 2 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 0.20011188 0.79988843 0.25000338 1.0 Sc Sc1 1 0.20011188 0.40022346 0.25000338 1.0 Sc Sc2 1 0.59977836 0.79988918 0.24999736 1.0 Sc Sc3 1 0.79988812 0.20011157 0.74999662 1.0 Sc Sc4 1 0.79988812 0.59977654 0.74999662 1.0 Sc Sc5 1 0.40022164 0.20011082 0.75000264 1.0 Mn Mn6 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn7 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn8 1 -0.00000000 0.50000000 0.50000000 1.0 Mn Mn9 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn10 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn11 1 -0.00000000 0.50000000 0.00000000 1.0 Al Al12 1 0.16440704 0.83559047 0.92009621 1.0 Al Al13 1 0.16440704 0.32881656 0.92009621 1.0 Al Al14 1 0.67118237 0.83559119 0.92009464 1.0 Al Al15 1 0.83559296 0.16440953 0.07990379 1.0 Al Al16 1 0.83559296 0.67118344 0.07990379 1.0 Al Al17 1 0.32881763 0.16440881 0.07990536 1.0 Al Al18 1 0.83558896 0.16440983 0.42009567 1.0 Al Al19 1 0.83558896 0.67117913 0.42009567 1.0 Al Al20 1 0.32882120 0.16441060 0.42009678 1.0 Al Al21 1 0.16441104 0.83559017 0.57990433 1.0 Al Al22 1 0.16441104 0.32882087 0.57990433 1.0 Al Al23 1 0.67117880 0.83558940 0.57990322 1.0 Al Al24 1 0.00000090 0.00000045 0.24999469 1.0 Al Al25 1 -0.00000090 -0.00000045 0.75000531 1.0 Si Si26 1 0.55995793 0.44004288 0.24999998 1.0 Si Si27 1 0.55995793 0.11991506 0.24999998 1.0 Si Si28 1 0.88008658 0.44004329 0.25000086 1.0 Si Si29 1 0.44004207 0.55995712 0.75000002 1.0 Si Si30 1 0.44004207 0.88008494 0.75000002 1.0 Si Si31 1 0.11991342 0.55995671 0.74999914 1.0 Si Si32 1 0.33333456 0.66666778 0.46238597 1.0 Si Si33 1 0.66666544 0.33333222 0.53761403 1.0 Si Si34 1 0.66666761 0.33333330 0.96239247 1.0 Si Si35 1 0.33333239 0.66666670 0.03760753 1.0