# generated using pymatgen data_NaLu4P12Rh19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.56227850 _cell_length_b 12.54539991 _cell_length_c 3.86646619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.04451291 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLu4P12Rh19 _chemical_formula_sum 'Na1 Lu4 P12 Rh19' _cell_volume 527.47611858 _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 Na Na0 1 0.18514661 1.00000000 0.50000000 1.0 Lu Lu1 1 0.00045192 0.18558755 0.50000000 1.0 Lu Lu2 1 0.81486437 0.81441245 0.50000000 1.0 Lu Lu3 1 0.66798360 0.33386117 0.00000000 1.0 Lu Lu4 1 0.33412143 0.66613883 0.00000000 1.0 P P5 1 0.48113593 0.31218493 0.50000000 1.0 P P6 1 0.82298417 1.00000000 0.00000000 1.0 P P7 1 0.17884885 0.18004215 0.00000000 1.0 P P8 1 0.99880670 0.81995785 0.00000000 1.0 P P9 1 0.36436085 1.00000000 0.00000000 1.0 P P10 1 0.68428705 0.16638458 0.50000000 1.0 P P11 1 0.83178284 0.51672560 0.50000000 1.0 P P12 1 0.51790248 0.83361542 0.50000000 1.0 P P13 1 0.16895200 0.68781507 0.50000000 1.0 P P14 1 0.31505725 0.48327440 0.50000000 1.0 P P15 1 0.99935131 0.36241308 0.00000000 1.0 P P16 1 0.63693823 0.63758692 0.00000000 1.0 Rh Rh17 1 0.80683828 0.17954098 0.00000000 1.0 Rh Rh18 1 0.37862708 0.19740511 0.00000000 1.0 Rh Rh19 1 0.64034977 0.50550000 0.50000000 1.0 Rh Rh20 1 0.86444795 0.35603834 0.50000000 1.0 Rh Rh21 1 0.35962450 0.86952557 0.50000000 1.0 Rh Rh22 1 0.50840961 0.64396166 0.50000000 1.0 Rh Rh23 1 0.13484977 0.49450000 0.50000000 1.0 Rh Rh24 1 0.81805593 0.62638563 0.00000000 1.0 Rh Rh25 1 0.62729629 0.82045902 0.00000000 1.0 Rh Rh26 1 0.18122097 0.80259489 0.00000000 1.0 Rh Rh27 1 0.19166930 0.37361437 0.00000000 1.0 Rh Rh28 1 0.99866912 0.71760375 0.50000000 1.0 Rh Rh29 1 0.28106436 0.28239625 0.50000000 1.0 Rh Rh30 1 0.72095695 1.00000000 0.50000000 1.0 Rh Rh31 1 0.99591644 0.54268773 0.00000000 1.0 Rh Rh32 1 0.45322871 0.45731227 0.00000000 1.0 Rh Rh33 1 0.54642460 0.00000000 0.00000000 1.0 Rh Rh34 1 0.99927587 0.00000000 0.00000000 1.0 Rh Rh35 1 0.49009892 0.13047443 0.50000000 1.0