# generated using pymatgen data_Tm5Cr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.65920790 _cell_length_b 12.65920858 _cell_length_c 3.88961358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999823 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Cr3(P3Ir4)4 _chemical_formula_sum 'Tm5 Cr3 P12 Ir16' _cell_volume 539.82150923 _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 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 0.00000000 0.81300513 0.00000000 1.0 Tm Tm3 1 0.18699487 0.18699487 0.00000000 1.0 Tm Tm4 1 0.81300513 0.00000000 0.00000000 1.0 Cr Cr5 1 0.00000000 0.45314725 0.50000000 1.0 Cr Cr6 1 0.54685275 0.54685275 0.50000000 1.0 Cr Cr7 1 0.45314725 0.00000000 0.50000000 1.0 P P8 1 1.00000000 0.64271148 0.50000000 1.0 P P9 1 0.35728852 0.35728852 0.50000000 1.0 P P10 1 0.64271148 0.00000000 0.50000000 1.0 P P11 1 0.51745443 0.68695372 0.00000000 1.0 P P12 1 0.31304628 0.83050071 0.00000000 1.0 P P13 1 0.16949929 0.48254557 0.00000000 1.0 P P14 1 0.48254557 0.16949929 0.00000000 1.0 P P15 1 0.68695372 0.51745443 0.00000000 1.0 P P16 1 0.83050071 0.31304628 0.00000000 1.0 P P17 1 1.00000000 0.17659522 0.50000000 1.0 P P18 1 0.82340478 0.82340478 0.50000000 1.0 P P19 1 0.17659522 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50654737 0.86820564 0.00000000 1.0 Ir Ir21 1 0.13179436 0.63834273 0.00000000 1.0 Ir Ir22 1 0.36165727 0.49345263 0.00000000 1.0 Ir Ir23 1 0.49345263 0.36165727 0.00000000 1.0 Ir Ir24 1 0.86820564 0.50654737 0.00000000 1.0 Ir Ir25 1 0.63834273 0.13179436 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28060832 0.00000000 1.0 Ir Ir27 1 0.71939168 0.71939168 0.00000000 1.0 Ir Ir28 1 0.28060832 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62584310 0.80545722 0.50000000 1.0 Ir Ir30 1 0.19454278 0.82038489 0.50000000 1.0 Ir Ir31 1 0.17961511 0.37415690 0.50000000 1.0 Ir Ir32 1 0.37415690 0.17961511 0.50000000 1.0 Ir Ir33 1 0.80545722 0.62584310 0.50000000 1.0 Ir Ir34 1 0.82038489 0.19454278 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0