# generated using pymatgen data_YThFe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76467300 _cell_length_b 8.76467300 _cell_length_c 11.97602600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YThFe14B _chemical_formula_sum 'Y4 Th4 Fe56 B4' _cell_volume 919.99224304 _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 Y Y0 1 0.22936900 0.77063100 0.50000000 1.0 Y Y1 1 0.77063100 0.22936900 0.50000000 1.0 Y Y2 1 0.27063100 0.27063100 0.00000000 1.0 Y Y3 1 0.72936900 0.72936900 0.00000000 1.0 Th Th4 1 0.64377900 0.64377900 0.50000000 1.0 Th Th5 1 0.35622100 0.35622100 0.50000000 1.0 Th Th6 1 0.85622100 0.14377900 0.00000000 1.0 Th Th7 1 0.14377900 0.85622100 0.00000000 1.0 Fe Fe8 1 0.93424000 0.72454700 0.37293000 1.0 Fe Fe9 1 0.06576000 0.27545300 0.37293000 1.0 Fe Fe10 1 0.56576000 0.22454700 0.87293000 1.0 Fe Fe11 1 0.43424000 0.77545300 0.87293000 1.0 Fe Fe12 1 0.06576000 0.27545300 0.62707000 1.0 Fe Fe13 1 0.93424000 0.72454700 0.62707000 1.0 Fe Fe14 1 0.43424000 0.77545300 0.12707000 1.0 Fe Fe15 1 0.56576000 0.22454700 0.12707000 1.0 Fe Fe16 1 0.72454700 0.93424000 0.37293000 1.0 Fe Fe17 1 0.27545300 0.06576000 0.37293000 1.0 Fe Fe18 1 0.22454700 0.56576000 0.87293000 1.0 Fe Fe19 1 0.77545300 0.43424000 0.87293000 1.0 Fe Fe20 1 0.27545300 0.06576000 0.62707000 1.0 Fe Fe21 1 0.72454700 0.93424000 0.62707000 1.0 Fe Fe22 1 0.77545300 0.43424000 0.12707000 1.0 Fe Fe23 1 0.22454700 0.56576000 0.12707000 1.0 Fe Fe24 1 0.14049300 0.53763900 0.32492400 1.0 Fe Fe25 1 0.85950700 0.46236100 0.32492400 1.0 Fe Fe26 1 0.35950700 0.03763900 0.82492400 1.0 Fe Fe27 1 0.64049300 0.96236100 0.82492400 1.0 Fe Fe28 1 0.85950700 0.46236100 0.67507600 1.0 Fe Fe29 1 0.14049300 0.53763900 0.67507600 1.0 Fe Fe30 1 0.64049300 0.96236100 0.17507600 1.0 Fe Fe31 1 0.35950700 0.03763900 0.17507600 1.0 Fe Fe32 1 0.53763900 0.14049300 0.32492400 1.0 Fe Fe33 1 0.46236100 0.85950700 0.32492400 1.0 Fe Fe34 1 0.03763900 0.35950700 0.82492400 1.0 Fe Fe35 1 0.96236100 0.64049300 0.82492400 1.0 Fe Fe36 1 0.46236100 0.85950700 0.67507600 1.0 Fe Fe37 1 0.53763900 0.14049300 0.67507600 1.0 Fe Fe38 1 0.96236100 0.64049300 0.17507600 1.0 Fe Fe39 1 0.03763900 0.35950700 0.17507600 1.0 Fe Fe40 1 0.18284500 0.81715500 0.25522600 1.0 Fe Fe41 1 0.81715500 0.18284500 0.25522600 1.0 Fe Fe42 1 0.31715500 0.31715500 0.75522600 1.0 Fe Fe43 1 0.68284500 0.68284500 0.75522600 1.0 Fe Fe44 1 0.81715500 0.18284500 0.74477400 1.0 Fe Fe45 1 0.18284500 0.81715500 0.74477400 1.0 Fe Fe46 1 0.68284500 0.68284500 0.24477400 1.0 Fe Fe47 1 0.31715500 0.31715500 0.24477400 1.0 Fe Fe48 1 0.40212100 0.59787900 0.29771100 1.0 Fe Fe49 1 0.59787900 0.40212100 0.29771100 1.0 Fe Fe50 1 0.09787900 0.09787900 0.79771100 1.0 Fe Fe51 1 0.90212100 0.90212100 0.79771100 1.0 Fe Fe52 1 0.59787900 0.40212100 0.70228900 1.0 Fe Fe53 1 0.40212100 0.59787900 0.70228900 1.0 Fe Fe54 1 0.90212100 0.90212100 0.20228900 1.0 Fe Fe55 1 0.09787900 0.09787900 0.20228900 1.0 Fe Fe56 1 0.50000000 0.50000000 0.11477200 1.0 Fe Fe57 1 0.00000000 0.00000000 0.61477200 1.0 Fe Fe58 1 0.50000000 0.50000000 0.88522800 1.0 Fe Fe59 1 0.00000000 0.00000000 0.38522800 1.0 Fe Fe60 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe62 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.87679000 0.87679000 0.50000000 1.0 B B65 1 0.12321000 0.12321000 0.50000000 1.0 B B66 1 0.62321000 0.37679000 0.00000000 1.0 B B67 1 0.37679000 0.62321000 0.00000000 1.0