# generated using pymatgen data_Lu5V(P2Ir3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54054065 _cell_length_b 12.67706063 _cell_length_c 3.92911176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.36077063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5V(P2Ir3)6 _chemical_formula_sum 'Lu5 V1 P12 Ir18' _cell_volume 538.97611073 _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 Lu Lu0 1 0.32893211 0.66411787 0.50000000 1.0 Lu Lu1 1 0.67106789 0.33518376 0.50000000 1.0 Lu Lu2 1 1.00000000 0.81346858 0.00000000 1.0 Lu Lu3 1 0.18079066 0.18384322 0.00000000 1.0 Lu Lu4 1 0.81920934 0.00305155 0.00000000 1.0 V V5 1 0.00000000 0.45192152 0.50000000 1.0 P P6 1 1.00000000 0.63426635 0.50000000 1.0 P P7 1 0.35332767 0.35155064 0.50000000 1.0 P P8 1 0.64667233 0.99822197 0.50000000 1.0 P P9 1 0.51494710 0.68758381 0.00000000 1.0 P P10 1 0.31132220 0.82924771 0.00000000 1.0 P P11 1 0.16370372 0.48440433 0.00000000 1.0 P P12 1 0.48505290 0.17263671 0.00000000 1.0 P P13 1 0.68867780 0.51792451 0.00000000 1.0 P P14 1 0.83629628 0.32070061 0.00000000 1.0 P P15 1 1.00000000 0.17506080 0.50000000 1.0 P P16 1 0.82193823 0.82153046 0.50000000 1.0 P P17 1 0.17806177 0.99959223 0.50000000 1.0 Ir Ir18 1 0.50602856 0.86686759 0.00000000 1.0 Ir Ir19 1 0.13123783 0.64137929 0.00000000 1.0 Ir Ir20 1 0.35459496 0.49608237 0.00000000 1.0 Ir Ir21 1 0.49397144 0.36083703 0.00000000 1.0 Ir Ir22 1 0.86876217 0.51014045 0.00000000 1.0 Ir Ir23 1 0.64540504 0.14148741 0.00000000 1.0 Ir Ir24 1 0.53032659 0.53417827 0.50000000 1.0 Ir Ir25 1 0.46967341 0.00385268 0.50000000 1.0 Ir Ir26 1 1.00000000 0.28705423 0.00000000 1.0 Ir Ir27 1 0.71749910 0.71851209 0.00000000 1.0 Ir Ir28 1 0.28250090 0.00101299 0.00000000 1.0 Ir Ir29 1 0.62272280 0.80426270 0.50000000 1.0 Ir Ir30 1 0.19606496 0.82266766 0.50000000 1.0 Ir Ir31 1 0.17924240 0.37020099 0.50000000 1.0 Ir Ir32 1 0.37727720 0.18153990 0.50000000 1.0 Ir Ir33 1 0.80393504 0.62660069 0.50000000 1.0 Ir Ir34 1 0.82075760 0.19095759 0.50000000 1.0 Ir Ir35 1 0.00000000 0.99805741 0.50000000 1.0