# generated using pymatgen data_Tm5V3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.61107758 _cell_length_b 12.61107705 _cell_length_c 3.91011670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000141 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5V3(P3Ir4)4 _chemical_formula_sum 'Tm5 V3 P12 Ir16' _cell_volume 538.54837733 _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 Tm Tm0 1 0.33333300 0.66666700 0.00000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.00000000 1.0 Tm Tm2 1 0.81221506 0.00000000 0.50000000 1.0 Tm Tm3 1 1.00000000 0.81221506 0.50000000 1.0 Tm Tm4 1 0.18778494 0.18778494 0.50000000 1.0 V V5 1 0.44929723 0.00000000 0.00000000 1.0 V V6 1 1.00000000 0.44929723 0.00000000 1.0 V V7 1 0.55070277 0.55070277 0.00000000 1.0 P P8 1 0.17589601 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17589601 0.00000000 1.0 P P10 1 0.82410399 0.82410399 0.00000000 1.0 P P11 1 0.16849078 0.48354676 0.50000000 1.0 P P12 1 0.51645324 0.68494402 0.50000000 1.0 P P13 1 0.31505598 0.83150922 0.50000000 1.0 P P14 1 0.68494402 0.51645324 0.50000000 1.0 P P15 1 0.83150922 0.31505598 0.50000000 1.0 P P16 1 0.48354676 0.16849078 0.50000000 1.0 P P17 1 0.63879928 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.63879928 0.00000000 1.0 P P19 1 0.36120072 0.36120072 0.00000000 1.0 Ir Ir20 1 0.35900610 0.49181803 0.50000000 1.0 Ir Ir21 1 0.50818197 0.86718807 0.50000000 1.0 Ir Ir22 1 0.13281193 0.64099390 0.50000000 1.0 Ir Ir23 1 0.86718807 0.50818197 0.50000000 1.0 Ir Ir24 1 0.64099390 0.13281193 0.50000000 1.0 Ir Ir25 1 0.49181803 0.35900610 0.50000000 1.0 Ir Ir26 1 0.17903780 0.37270934 0.00000000 1.0 Ir Ir27 1 0.62729066 0.80632947 0.00000000 1.0 Ir Ir28 1 0.19367053 0.82096220 0.00000000 1.0 Ir Ir29 1 0.80632947 0.62729066 0.00000000 1.0 Ir Ir30 1 0.82096220 0.19367053 0.00000000 1.0 Ir Ir31 1 0.37270934 0.17903780 0.00000000 1.0 Ir Ir32 1 0.28511385 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28511385 0.50000000 1.0 Ir Ir34 1 0.71488615 0.71488615 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0