# generated using pymatgen data_Nd2Al20Re3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85236011 _cell_length_b 6.89102051 _cell_length_c 9.15923142 _cell_angle_alpha 90.09462776 _cell_angle_beta 90.66063615 _cell_angle_gamma 97.06636346 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Al20Re3Ni _chemical_formula_sum 'Nd2 Al20 Re3 Ni1' _cell_volume 429.18096800 _cell_formula_units_Z 1 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 Nd Nd0 1 0.87861735 0.13021054 0.75165684 1.0 Nd Nd1 1 0.12138265 0.86978946 0.24834316 1.0 Al Al2 1 0.59166385 0.86190676 0.24747860 1.0 Al Al3 1 0.77968800 0.51833694 0.24686546 1.0 Al Al4 1 0.16230049 0.84212774 0.89850394 1.0 Al Al5 1 0.40833615 0.13809324 0.75252140 1.0 Al Al6 1 0.62232535 0.37922691 0.95329405 1.0 Al Al7 1 0.84059971 0.15717791 0.40070372 1.0 Al Al8 1 0.76932763 0.77306049 0.99889432 1.0 Al Al9 1 0.86306500 0.59625788 0.74946423 1.0 Al Al10 1 0.83769951 0.15787226 0.10149606 1.0 Al Al11 1 0.22031200 0.48166306 0.75313454 1.0 Al Al12 1 0.15940029 0.84282209 0.59929628 1.0 Al Al13 1 0.77256765 0.77286579 0.49748348 1.0 Al Al14 1 0.47915406 0.21722826 0.25258421 1.0 Al Al15 1 0.62375151 0.37642575 0.54343823 1.0 Al Al16 1 0.22743235 0.22713421 0.50251652 1.0 Al Al17 1 0.37624849 0.62357425 0.45656177 1.0 Al Al18 1 0.13693500 0.40374212 0.25053577 1.0 Al Al19 1 0.52084594 0.78277174 0.74741579 1.0 Al Al20 1 0.37767465 0.62077309 0.04670595 1.0 Al Al21 1 0.23067237 0.22693951 0.00110568 1.0 Re Re22 1 0.50000000 0.00000000 0.50000000 1.0 Re Re23 1 0.00000000 0.50000000 0.00000000 1.0 Re Re24 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni25 1 0.50000000 0.00000000 0.00000000 1.0