# generated using pymatgen data_Nd4Ti3Fe25B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82636639 _cell_length_b 8.82636639 _cell_length_c 12.29588300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.80799626 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Ti3Fe25B2 _chemical_formula_sum 'Nd8 Ti6 Fe50 B4' _cell_volume 957.90223446 _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 Nd Nd0 1 0.23914000 0.76086000 0.50114100 1.0 Nd Nd1 1 0.76086000 0.23914000 0.50114100 1.0 Nd Nd2 1 0.26025800 0.26025800 0.99409900 1.0 Nd Nd3 1 0.73974200 0.73974200 0.99409900 1.0 Nd Nd4 1 0.64074500 0.64074500 0.50647000 1.0 Nd Nd5 1 0.35925500 0.35925500 0.50647000 1.0 Nd Nd6 1 0.85966800 0.14033200 0.99932500 1.0 Nd Nd7 1 0.14033200 0.85966800 0.99932500 1.0 Ti Ti8 1 0.68982500 0.68982500 0.24994900 1.0 Ti Ti9 1 0.31017500 0.31017500 0.24994900 1.0 Ti Ti10 1 0.50000000 0.50000000 0.11879600 1.0 Ti Ti11 1 0.00000000 0.00000000 0.62597900 1.0 Ti Ti12 1 0.50000000 0.50000000 0.87355600 1.0 Ti Ti13 1 0.00000000 0.00000000 0.37522400 1.0 Fe Fe14 1 0.39799400 0.60200600 0.29434300 1.0 Fe Fe15 1 0.60200600 0.39799400 0.29434300 1.0 Fe Fe16 1 0.10559300 0.10559300 0.79647000 1.0 Fe Fe17 1 0.89440700 0.89440700 0.79647000 1.0 Fe Fe18 1 0.60240400 0.39759600 0.70064800 1.0 Fe Fe19 1 0.39759600 0.60240400 0.70064800 1.0 Fe Fe20 1 0.90033400 0.90033400 0.20161900 1.0 Fe Fe21 1 0.09966600 0.09966600 0.20161900 1.0 Fe Fe22 1 0.13812900 0.53862900 0.32413500 1.0 Fe Fe23 1 0.86187100 0.46137100 0.32413500 1.0 Fe Fe24 1 0.36381100 0.03662000 0.82017200 1.0 Fe Fe25 1 0.63618900 0.96338000 0.82017200 1.0 Fe Fe26 1 0.86367700 0.46533000 0.68122800 1.0 Fe Fe27 1 0.13632300 0.53467000 0.68122800 1.0 Fe Fe28 1 0.63893700 0.96538200 0.17609600 1.0 Fe Fe29 1 0.36106300 0.03461800 0.17609600 1.0 Fe Fe30 1 0.53862900 0.13812900 0.32413500 1.0 Fe Fe31 1 0.46137100 0.86187100 0.32413500 1.0 Fe Fe32 1 0.03662000 0.36381100 0.82017200 1.0 Fe Fe33 1 0.96338000 0.63618900 0.82017200 1.0 Fe Fe34 1 0.46533000 0.86367700 0.68122800 1.0 Fe Fe35 1 0.53467000 0.13632300 0.68122800 1.0 Fe Fe36 1 0.96538200 0.63893700 0.17609600 1.0 Fe Fe37 1 0.03461800 0.36106300 0.17609600 1.0 Fe Fe38 1 0.93422600 0.72028900 0.37632100 1.0 Fe Fe39 1 0.06577400 0.27971100 0.37632100 1.0 Fe Fe40 1 0.56914500 0.21990600 0.87237600 1.0 Fe Fe41 1 0.43085500 0.78009400 0.87237600 1.0 Fe Fe42 1 0.06516100 0.27981200 0.62674600 1.0 Fe Fe43 1 0.93483900 0.72018800 0.62674600 1.0 Fe Fe44 1 0.43278200 0.77860300 0.12612200 1.0 Fe Fe45 1 0.56721800 0.22139700 0.12612200 1.0 Fe Fe46 1 0.72028900 0.93422600 0.37632100 1.0 Fe Fe47 1 0.27971100 0.06577400 0.37632100 1.0 Fe Fe48 1 0.21990600 0.56914500 0.87237600 1.0 Fe Fe49 1 0.78009400 0.43085500 0.87237600 1.0 Fe Fe50 1 0.27981200 0.06516100 0.62674600 1.0 Fe Fe51 1 0.72018800 0.93483900 0.62674600 1.0 Fe Fe52 1 0.77860300 0.43278200 0.12612200 1.0 Fe Fe53 1 0.22139700 0.56721800 0.12612200 1.0 Fe Fe54 1 0.00000000 0.50000000 0.50263200 1.0 Fe Fe55 1 0.50000000 0.00000000 0.99735900 1.0 Fe Fe56 1 0.50000000 0.00000000 0.50263200 1.0 Fe Fe57 1 0.00000000 0.50000000 0.99735900 1.0 Fe Fe58 1 0.18518900 0.81481100 0.25236800 1.0 Fe Fe59 1 0.81481100 0.18518900 0.25236800 1.0 Fe Fe60 1 0.31811700 0.31811700 0.75401500 1.0 Fe Fe61 1 0.68188300 0.68188300 0.75401500 1.0 Fe Fe62 1 0.81269500 0.18730500 0.74799600 1.0 Fe Fe63 1 0.18730500 0.81269500 0.74799600 1.0 B B64 1 0.86180200 0.86180200 0.50121500 1.0 B B65 1 0.13819800 0.13819800 0.50121500 1.0 B B66 1 0.64077000 0.35923000 0.99717800 1.0 B B67 1 0.35923000 0.64077000 0.99717800 1.0