# generated using pymatgen data_Pr(Al4Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03970092 _cell_length_b 12.46030600 _cell_length_c 14.28013446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(Al4Fe)2 _chemical_formula_sum 'Pr4 Al32 Fe8' _cell_volume 718.80355742 _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 Pr Pr0 1 -0.00000000 0.84095547 0.18167906 1.0 Pr Pr1 1 0.00000000 0.15904453 0.81832094 1.0 Pr Pr2 1 -0.00000000 0.34095547 0.31832094 1.0 Pr Pr3 1 0.00000000 0.65904453 0.68167906 1.0 Al Al4 1 -0.00000000 0.50000000 0.50000000 1.0 Al Al5 1 0.00000000 -0.00000000 0.00000000 1.0 Al Al6 1 0.50000000 0.50000000 0.00000000 1.0 Al Al7 1 0.50000000 -0.00000000 0.50000000 1.0 Al Al8 1 0.50000000 0.73321105 0.32828001 1.0 Al Al9 1 0.50000000 0.26678895 0.67171999 1.0 Al Al10 1 0.50000000 0.23321105 0.17171999 1.0 Al Al11 1 0.50000000 0.76678895 0.82828001 1.0 Al Al12 1 0.50000000 0.95297349 0.32138708 1.0 Al Al13 1 0.50000000 0.04702651 0.67861292 1.0 Al Al14 1 0.50000000 0.45297349 0.17861292 1.0 Al Al15 1 0.50000000 0.54702651 0.82138708 1.0 Al Al16 1 0.50000000 0.65821761 0.11974727 1.0 Al Al17 1 0.50000000 0.34178239 0.88025273 1.0 Al Al18 1 0.50000000 0.15821761 0.38025273 1.0 Al Al19 1 0.50000000 0.84178239 0.61974727 1.0 Al Al20 1 -0.00000000 0.83217370 0.45374436 1.0 Al Al21 1 -0.00000000 0.16782630 0.54625564 1.0 Al Al22 1 0.00000000 0.33217370 0.04625564 1.0 Al Al23 1 0.00000000 0.66782630 0.95374436 1.0 Al Al24 1 -0.00000000 0.59350353 0.24500189 1.0 Al Al25 1 -0.00000000 0.40649647 0.75499811 1.0 Al Al26 1 0.00000000 0.09350353 0.25499811 1.0 Al Al27 1 0.00000000 0.90649647 0.74500189 1.0 Al Al28 1 0.50000000 0.83276475 0.00594938 1.0 Al Al29 1 0.50000000 0.16723525 0.99405062 1.0 Al Al30 1 0.50000000 0.33276475 0.49405062 1.0 Al Al31 1 0.50000000 0.66723525 0.50594938 1.0 Al Al32 1 0.50000000 0.52724415 0.36743316 1.0 Al Al33 1 0.50000000 0.47275585 0.63256684 1.0 Al Al34 1 0.50000000 0.02724415 0.13256684 1.0 Al Al35 1 0.50000000 0.97275585 0.86743316 1.0 Fe Fe36 1 -0.00000000 0.64813135 0.40132568 1.0 Fe Fe37 1 -0.00000000 0.35186865 0.59867432 1.0 Fe Fe38 1 -0.00000000 0.14813135 0.09867432 1.0 Fe Fe39 1 0.00000000 0.85186865 0.90132568 1.0 Fe Fe40 1 0.00000000 0.53147351 0.08645296 1.0 Fe Fe41 1 -0.00000000 0.46852649 0.91354704 1.0 Fe Fe42 1 -0.00000000 0.03147351 0.41354704 1.0 Fe Fe43 1 0.00000000 0.96852649 0.58645296 1.0