# generated using pymatgen data_Nd6P5Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18197767 _cell_length_b 10.25462113 _cell_length_c 8.37078609 _cell_angle_alpha 90.07591814 _cell_angle_beta 60.01777192 _cell_angle_gamma 89.99615732 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6P5Se _chemical_formula_sum 'Nd6 P5 Se1' _cell_volume 310.93915627 _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 0.94438512 0.89393889 0.64962114 1.0 Nd Nd1 1 0.26612133 0.23595452 0.32861650 1.0 Nd Nd2 1 0.60547060 0.56495627 0.98902858 1.0 Nd Nd3 1 0.27990516 0.24127445 0.81466894 1.0 Nd Nd4 1 0.60542785 0.56493888 0.48901979 1.0 Nd Nd5 1 0.93052753 0.88873536 0.16354022 1.0 P P6 1 0.27183810 0.73028093 0.32221263 1.0 P P7 1 0.93873677 0.39964344 0.65596782 1.0 P P8 1 0.60513761 0.06490922 0.48916371 1.0 P P9 1 0.94017252 0.39710074 0.15475822 1.0 P P10 1 0.27048022 0.73280993 0.82344326 1.0 Se Se11 1 0.60530719 0.06518736 0.98905420 1.0