# generated using pymatgen data_ScTaMn4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55996438 _cell_length_b 10.88091094 _cell_length_c 12.35679943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaMn4P3 _chemical_formula_sum 'Sc4 Ta4 Mn16 P12' _cell_volume 478.64872474 _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 Sc Sc0 1 0.25000000 0.58953299 0.70886551 1.0 Sc Sc1 1 0.25000000 0.91046701 0.20886551 1.0 Sc Sc2 1 0.75000000 0.41046701 0.29113449 1.0 Sc Sc3 1 0.75000000 0.08953299 0.79113449 1.0 Ta Ta4 1 0.25000000 0.71543096 0.97977564 1.0 Ta Ta5 1 0.25000000 0.78456904 0.47977564 1.0 Ta Ta6 1 0.75000000 0.28456904 0.02022436 1.0 Ta Ta7 1 0.75000000 0.21543096 0.52022436 1.0 Mn Mn8 1 0.25000000 0.41167213 0.49431976 1.0 Mn Mn9 1 0.25000000 0.08832787 0.99431976 1.0 Mn Mn10 1 0.75000000 0.58832787 0.50568024 1.0 Mn Mn11 1 0.75000000 0.91167213 0.00568024 1.0 Mn Mn12 1 0.25000000 0.20790091 0.18472257 1.0 Mn Mn13 1 0.25000000 0.29210009 0.68472257 1.0 Mn Mn14 1 0.75000000 0.79210009 0.81527743 1.0 Mn Mn15 1 0.75000000 0.70789991 0.31527743 1.0 Mn Mn16 1 0.25000000 0.88655347 0.69113068 1.0 Mn Mn17 1 0.25000000 0.61344653 0.19113068 1.0 Mn Mn18 1 0.75000000 0.11344653 0.30886932 1.0 Mn Mn19 1 0.75000000 0.38655347 0.80886932 1.0 Mn Mn20 1 0.25000000 0.46501400 0.93529837 1.0 Mn Mn21 1 0.25000000 0.03498600 0.43529837 1.0 Mn Mn22 1 0.75000000 0.53498600 0.06470163 1.0 Mn Mn23 1 0.75000000 0.96501400 0.56470163 1.0 P P24 1 0.25000000 0.41139080 0.12325782 1.0 P P25 1 0.25000000 0.08860920 0.62325782 1.0 P P26 1 0.75000000 0.58860920 0.87674218 1.0 P P27 1 0.75000000 0.91139080 0.37674218 1.0 P P28 1 0.25000000 0.26015771 0.87083893 1.0 P P29 1 0.25000000 0.23984229 0.37083893 1.0 P P30 1 0.75000000 0.73984229 0.12916107 1.0 P P31 1 0.75000000 0.76015771 0.62916107 1.0 P P32 1 0.25000000 0.58039529 0.37741169 1.0 P P33 1 0.25000000 0.91960471 0.87741169 1.0 P P34 1 0.75000000 0.41960471 0.62258831 1.0 P P35 1 0.75000000 0.08039529 0.12258831 1.0