# generated using pymatgen data_Tm2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70990200 _cell_length_b 8.70990200 _cell_length_c 11.81841400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Fe14B _chemical_formula_sum 'Tm8 Fe56 B4' _cell_volume 896.57316573 _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 Tm Tm0 1 0.85643600 0.14356400 0.00000000 1.0 Tm Tm1 1 0.35643600 0.35643600 0.50000000 1.0 Tm Tm2 1 0.64356400 0.64356400 0.50000000 1.0 Tm Tm3 1 0.14356400 0.85643600 0.00000000 1.0 Tm Tm4 1 0.73348100 0.73348100 0.00000000 1.0 Tm Tm5 1 0.76651900 0.23348100 0.50000000 1.0 Tm Tm6 1 0.23348100 0.76651900 0.50000000 1.0 Tm Tm7 1 0.26651900 0.26651900 0.00000000 1.0 Fe Fe8 1 0.35830800 0.03721300 0.17410400 1.0 Fe Fe9 1 0.64169200 0.96278700 0.17410400 1.0 Fe Fe10 1 0.03721300 0.35830800 0.82589600 1.0 Fe Fe11 1 0.53721300 0.14169200 0.67410400 1.0 Fe Fe12 1 0.46278700 0.85830800 0.67410400 1.0 Fe Fe13 1 0.14169200 0.53721300 0.32589600 1.0 Fe Fe14 1 0.85830800 0.46278700 0.32589600 1.0 Fe Fe15 1 0.96278700 0.64169200 0.82589600 1.0 Fe Fe16 1 0.64169200 0.96278700 0.82589600 1.0 Fe Fe17 1 0.35830800 0.03721300 0.82589600 1.0 Fe Fe18 1 0.96278700 0.64169200 0.17410400 1.0 Fe Fe19 1 0.46278700 0.85830800 0.32589600 1.0 Fe Fe20 1 0.53721300 0.14169200 0.32589600 1.0 Fe Fe21 1 0.85830800 0.46278700 0.67410400 1.0 Fe Fe22 1 0.14169200 0.53721300 0.67410400 1.0 Fe Fe23 1 0.03721300 0.35830800 0.17410400 1.0 Fe Fe24 1 0.56587800 0.22434500 0.12583000 1.0 Fe Fe25 1 0.43412200 0.77565500 0.12583000 1.0 Fe Fe26 1 0.22434500 0.56587800 0.87417000 1.0 Fe Fe27 1 0.72434500 0.93412200 0.62583000 1.0 Fe Fe28 1 0.27565500 0.06587800 0.62583000 1.0 Fe Fe29 1 0.93412200 0.72434500 0.37417000 1.0 Fe Fe30 1 0.06587800 0.27565500 0.37417000 1.0 Fe Fe31 1 0.77565500 0.43412200 0.87417000 1.0 Fe Fe32 1 0.43412200 0.77565500 0.87417000 1.0 Fe Fe33 1 0.56587800 0.22434500 0.87417000 1.0 Fe Fe34 1 0.77565500 0.43412200 0.12583000 1.0 Fe Fe35 1 0.27565500 0.06587800 0.37417000 1.0 Fe Fe36 1 0.72434500 0.93412200 0.37417000 1.0 Fe Fe37 1 0.06587800 0.27565500 0.62583000 1.0 Fe Fe38 1 0.93412200 0.72434500 0.62583000 1.0 Fe Fe39 1 0.22434500 0.56587800 0.12583000 1.0 Fe Fe40 1 0.68307200 0.68307200 0.75406200 1.0 Fe Fe41 1 0.31692800 0.31692800 0.75406200 1.0 Fe Fe42 1 0.68307200 0.68307200 0.24593800 1.0 Fe Fe43 1 0.18307200 0.81692800 0.25406200 1.0 Fe Fe44 1 0.81692800 0.18307200 0.25406200 1.0 Fe Fe45 1 0.81692800 0.18307200 0.74593800 1.0 Fe Fe46 1 0.18307200 0.81692800 0.74593800 1.0 Fe Fe47 1 0.31692800 0.31692800 0.24593800 1.0 Fe Fe48 1 0.90295500 0.90295500 0.80110300 1.0 Fe Fe49 1 0.09704500 0.09704500 0.80110300 1.0 Fe Fe50 1 0.90295500 0.90295500 0.19889700 1.0 Fe Fe51 1 0.40295500 0.59704500 0.30110300 1.0 Fe Fe52 1 0.59704500 0.40295500 0.30110300 1.0 Fe Fe53 1 0.59704500 0.40295500 0.69889700 1.0 Fe Fe54 1 0.40295500 0.59704500 0.69889700 1.0 Fe Fe55 1 0.09704500 0.09704500 0.19889700 1.0 Fe Fe56 1 0.00000000 0.00000000 0.38391600 1.0 Fe Fe57 1 0.50000000 0.50000000 0.88391600 1.0 Fe Fe58 1 0.50000000 0.50000000 0.11608400 1.0 Fe Fe59 1 0.00000000 0.00000000 0.61608400 1.0 Fe Fe60 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe62 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.62508200 0.37491800 0.00000000 1.0 B B65 1 0.12508200 0.12508200 0.50000000 1.0 B B66 1 0.87491800 0.87491800 0.50000000 1.0 B B67 1 0.37491800 0.62508200 0.00000000 1.0