# generated using pymatgen data_Pr6Fe13As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.89300827 _cell_length_b 12.89300827 _cell_length_c 12.89300827 _cell_angle_alpha 143.77590060 _cell_angle_beta 143.77590060 _cell_angle_gamma 52.16253119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6Fe13As _chemical_formula_sum 'Pr12 Fe26 As2' _cell_volume 744.14450384 _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 Pr Pr0 1 0.60693200 0.60693200 0.00000000 1.0 Pr Pr1 1 0.10693200 0.10693200 0.00000000 1.0 Pr Pr2 1 0.39306800 0.39306800 0.00000000 1.0 Pr Pr3 1 0.89306800 0.89306800 0.00000000 1.0 Pr Pr4 1 0.47702500 0.97702500 0.82990800 1.0 Pr Pr5 1 0.14711700 0.64711700 0.17009200 1.0 Pr Pr6 1 0.97702500 0.14711700 0.50000000 1.0 Pr Pr7 1 0.64711700 0.47702500 0.50000000 1.0 Pr Pr8 1 0.52297500 0.02297500 0.17009200 1.0 Pr Pr9 1 0.85288300 0.35288300 0.82990800 1.0 Pr Pr10 1 0.02297500 0.85288300 0.50000000 1.0 Pr Pr11 1 0.35288300 0.52297500 0.50000000 1.0 Fe Fe12 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe13 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe14 1 0.56627600 0.70932200 0.27559900 1.0 Fe Fe15 1 0.43372400 0.29067800 0.72440100 1.0 Fe Fe16 1 0.06627600 0.79067800 0.85695400 1.0 Fe Fe17 1 0.93372400 0.20932200 0.14304600 1.0 Fe Fe18 1 0.29067800 0.56627600 0.85695400 1.0 Fe Fe19 1 0.70932200 0.43372400 0.14304600 1.0 Fe Fe20 1 0.20932200 0.06627600 0.27559900 1.0 Fe Fe21 1 0.79067800 0.93372400 0.72440100 1.0 Fe Fe22 1 0.61990300 0.11990300 0.85806200 1.0 Fe Fe23 1 0.26184000 0.76184000 0.14193800 1.0 Fe Fe24 1 0.11990300 0.26184000 0.50000000 1.0 Fe Fe25 1 0.76184000 0.61990300 0.50000000 1.0 Fe Fe26 1 0.38009700 0.88009700 0.14193800 1.0 Fe Fe27 1 0.73816000 0.23816000 0.85806200 1.0 Fe Fe28 1 0.88009700 0.73816000 0.50000000 1.0 Fe Fe29 1 0.23816000 0.38009700 0.50000000 1.0 Fe Fe30 1 0.79271500 0.29271500 0.27409500 1.0 Fe Fe31 1 0.01862000 0.51862000 0.72590500 1.0 Fe Fe32 1 0.29271500 0.01862000 0.50000000 1.0 Fe Fe33 1 0.51862000 0.79271500 0.50000000 1.0 Fe Fe34 1 0.20728500 0.70728500 0.72590500 1.0 Fe Fe35 1 0.98138000 0.48138000 0.27409500 1.0 Fe Fe36 1 0.70728500 0.98138000 0.50000000 1.0 Fe Fe37 1 0.48138000 0.20728500 0.50000000 1.0 As As38 1 0.25000000 0.25000000 0.00000000 1.0 As As39 1 0.75000000 0.75000000 0.00000000 1.0