# generated using pymatgen data_Sm4FeTc3B16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62669091 _cell_length_b 6.01269008 _cell_length_c 11.63614751 _cell_angle_alpha 90.02141200 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4FeTc3B16 _chemical_formula_sum 'Sm4 Fe1 Tc3 B16' _cell_volume 253.73977547 _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 Sm Sm0 1 0.00000000 0.37433008 0.64870461 1.0 Sm Sm1 1 0.00000000 0.62693599 0.35227674 1.0 Sm Sm2 1 0.00000000 0.87380034 0.84728515 1.0 Sm Sm3 1 0.00000000 0.12574641 0.15183219 1.0 Fe Fe4 1 0.00000000 0.13168953 0.41351080 1.0 Tc Tc5 1 0.00000000 0.37043185 0.91532948 1.0 Tc Tc6 1 0.00000000 0.63016172 0.08500256 1.0 Tc Tc7 1 0.00000000 0.87331264 0.58376298 1.0 B B8 1 0.50000000 0.02483278 0.69034189 1.0 B B9 1 0.50000000 0.97698386 0.30960958 1.0 B B10 1 0.50000000 0.52349312 0.80955390 1.0 B B11 1 0.50000000 0.47555645 0.19122152 1.0 B B12 1 0.50000000 0.38772016 0.04680966 1.0 B B13 1 0.50000000 0.61195779 0.95397245 1.0 B B14 1 0.50000000 0.88611510 0.45462885 1.0 B B15 1 0.50000000 0.11063769 0.54682219 1.0 B B16 1 0.50000000 0.28113355 0.31702495 1.0 B B17 1 0.50000000 0.71749811 0.68308037 1.0 B B18 1 0.50000000 0.78213950 0.18462781 1.0 B B19 1 0.50000000 0.21848110 0.81571004 1.0 B B20 1 0.50000000 0.35990217 0.46699015 1.0 B B21 1 0.50000000 0.63731992 0.53143628 1.0 B B22 1 0.50000000 0.86129518 0.03188907 1.0 B B23 1 0.50000000 0.13852497 0.96857476 1.0