# generated using pymatgen data_Pa4FeB14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20050585 _cell_length_b 7.20050585 _cell_length_c 7.63663389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa4FeB14 _chemical_formula_sum 'Pa8 Fe2 B28' _cell_volume 395.93872957 _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 Pa Pa0 1 0.19103432 0.32558838 0.00000000 1.0 Pa Pa1 1 0.67441162 0.19103432 0.00000000 1.0 Pa Pa2 1 0.32558838 0.80896568 0.00000000 1.0 Pa Pa3 1 0.69103432 0.17441162 0.50000000 1.0 Pa Pa4 1 0.30896568 0.82558838 0.50000000 1.0 Pa Pa5 1 0.80896568 0.67441162 0.00000000 1.0 Pa Pa6 1 0.82558838 0.69103432 0.50000000 1.0 Pa Pa7 1 0.17441162 0.30896568 0.50000000 1.0 Fe Fe8 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe9 1 0.50000000 0.50000000 0.50000000 1.0 B B10 1 0.17410428 0.03946271 0.23207561 1.0 B B11 1 0.96053729 0.17410428 0.23207561 1.0 B B12 1 0.03946271 0.82589572 0.23207561 1.0 B B13 1 0.67410428 0.46053729 0.26792439 1.0 B B14 1 0.32589572 0.53946271 0.26792439 1.0 B B15 1 0.82589572 0.96053729 0.23207561 1.0 B B16 1 0.53946271 0.67410428 0.26792439 1.0 B B17 1 0.46053729 0.32589572 0.26792439 1.0 B B18 1 0.82589572 0.96053729 0.76792439 1.0 B B19 1 0.03946271 0.82589572 0.76792439 1.0 B B20 1 0.96053729 0.17410428 0.76792439 1.0 B B21 1 0.32589572 0.53946271 0.73207561 1.0 B B22 1 0.67410428 0.46053729 0.73207561 1.0 B B23 1 0.17410428 0.03946271 0.76792439 1.0 B B24 1 0.46053729 0.32589572 0.73207561 1.0 B B25 1 0.53946271 0.67410428 0.73207561 1.0 B B26 1 0.09027247 0.59027247 0.25000000 1.0 B B27 1 0.40972753 0.09027247 0.25000000 1.0 B B28 1 0.59027247 0.90972753 0.25000000 1.0 B B29 1 0.90972753 0.40972753 0.25000000 1.0 B B30 1 0.90972753 0.40972753 0.75000000 1.0 B B31 1 0.59027247 0.90972753 0.75000000 1.0 B B32 1 0.40972753 0.09027247 0.75000000 1.0 B B33 1 0.09027247 0.59027247 0.75000000 1.0 B B34 1 0.00000000 0.00000000 0.39255558 1.0 B B35 1 0.50000000 0.50000000 0.10744442 1.0 B B36 1 0.00000000 0.00000000 0.60744442 1.0 B B37 1 0.50000000 0.50000000 0.89255558 1.0