# generated using pymatgen data_Li5Mn3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.50311915 _cell_length_b 12.50311800 _cell_length_c 3.87058156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000039 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Mn3(P3Ir4)4 _chemical_formula_sum 'Li5 Mn3 P12 Ir16' _cell_volume 524.01479988 _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 Li Li0 1 0.33333300 0.66666700 0.50000000 1.0 Li Li1 1 0.66666700 0.33333300 0.50000000 1.0 Li Li2 1 0.00000000 0.82795511 0.00000000 1.0 Li Li3 1 0.17204489 0.17204489 0.00000000 1.0 Li Li4 1 0.82795511 1.00000000 0.00000000 1.0 Mn Mn5 1 1.00000000 0.44858299 0.50000000 1.0 Mn Mn6 1 0.55141701 0.55141701 0.50000000 1.0 Mn Mn7 1 0.44858299 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.63830542 0.50000000 1.0 P P9 1 0.36169458 0.36169458 0.50000000 1.0 P P10 1 0.63830542 1.00000000 0.50000000 1.0 P P11 1 0.51438862 0.69089169 0.00000000 1.0 P P12 1 0.30910831 0.82349593 0.00000000 1.0 P P13 1 0.17650407 0.48561138 0.00000000 1.0 P P14 1 0.48561138 0.17650407 0.00000000 1.0 P P15 1 0.69089169 0.51438862 0.00000000 1.0 P P16 1 0.82349593 0.30910831 0.00000000 1.0 P P17 1 1.00000000 0.17765990 0.50000000 1.0 P P18 1 0.82234010 0.82234010 0.50000000 1.0 P P19 1 0.17765990 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50728540 0.87119729 0.00000000 1.0 Ir Ir21 1 0.12880271 0.63608810 0.00000000 1.0 Ir Ir22 1 0.36391190 0.49271460 0.00000000 1.0 Ir Ir23 1 0.49271460 0.36391190 0.00000000 1.0 Ir Ir24 1 0.87119729 0.50728540 0.00000000 1.0 Ir Ir25 1 0.63608810 0.12880271 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28059654 0.00000000 1.0 Ir Ir27 1 0.71940346 0.71940346 0.00000000 1.0 Ir Ir28 1 0.28059654 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62440988 0.80536092 0.50000000 1.0 Ir Ir30 1 0.19463908 0.81904996 0.50000000 1.0 Ir Ir31 1 0.18095004 0.37559012 0.50000000 1.0 Ir Ir32 1 0.37559012 0.18095004 0.50000000 1.0 Ir Ir33 1 0.80536092 0.62440988 0.50000000 1.0 Ir Ir34 1 0.81904996 0.19463908 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0