# generated using pymatgen data_LiY3(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96870167 _cell_length_b 11.22413552 _cell_length_c 12.61960325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiY3(P3Ir4)2 _chemical_formula_sum 'Li2 Y6 P12 Ir16' _cell_volume 562.14332317 _cell_formula_units_Z 2 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 Li Li0 1 0.50000000 0.50000000 0.15202563 1.0 Li Li1 1 0.00000000 0.00000000 0.84797437 1.0 Y Y2 1 0.00000000 0.50000000 0.51719001 1.0 Y Y3 1 0.50000000 0.00000000 0.48280999 1.0 Y Y4 1 0.50000000 0.81803936 0.20458787 1.0 Y Y5 1 0.50000000 0.18196064 0.20458787 1.0 Y Y6 1 0.00000000 0.68196064 0.79541213 1.0 Y Y7 1 0.00000000 0.31803936 0.79541213 1.0 P P8 1 0.50000000 0.50000000 0.87969486 1.0 P P9 1 0.00000000 0.00000000 0.12030514 1.0 P P10 1 0.50000000 0.50000000 0.34170516 1.0 P P11 1 0.00000000 0.00000000 0.65829484 1.0 P P12 1 0.50000000 0.31169258 0.61813542 1.0 P P13 1 0.50000000 0.68830742 0.61813542 1.0 P P14 1 0.00000000 0.18830742 0.38186458 1.0 P P15 1 0.00000000 0.81169258 0.38186458 1.0 P P16 1 0.50000000 0.84428865 0.89156336 1.0 P P17 1 0.50000000 0.15571135 0.89156336 1.0 P P18 1 0.00000000 0.65571135 0.10843664 1.0 P P19 1 0.00000000 0.34428865 0.10843664 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69817410 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30182590 1.0 Ir Ir22 1 0.00000000 0.50000000 0.98415699 1.0 Ir Ir23 1 0.50000000 0.00000000 0.01584301 1.0 Ir Ir24 1 0.50000000 0.33196196 0.98858342 1.0 Ir Ir25 1 0.50000000 0.66803804 0.98858342 1.0 Ir Ir26 1 0.00000000 0.16803804 0.01141658 1.0 Ir Ir27 1 0.00000000 0.83196196 0.01141658 1.0 Ir Ir28 1 0.50000000 0.29379899 0.43064009 1.0 Ir Ir29 1 0.50000000 0.70620101 0.43064009 1.0 Ir Ir30 1 0.00000000 0.20620101 0.56935991 1.0 Ir Ir31 1 0.00000000 0.79379899 0.56935991 1.0 Ir Ir32 1 0.50000000 0.87300897 0.71144495 1.0 Ir Ir33 1 0.50000000 0.12699103 0.71144495 1.0 Ir Ir34 1 0.00000000 0.62699103 0.28855505 1.0 Ir Ir35 1 0.00000000 0.37300897 0.28855505 1.0