# generated using pymatgen data_TmCr(PIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84964830 _cell_length_b 11.06325892 _cell_length_c 12.79231019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCr(PIr)2 _chemical_formula_sum 'Tm6 Cr6 P12 Ir12' _cell_volume 544.82008896 _cell_formula_units_Z 6 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 0.00000000 0.50000000 0.52008737 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47854376 1.0 Tm Tm2 1 0.50000000 0.81892080 0.20508332 1.0 Tm Tm3 1 0.50000000 0.18107920 0.20508332 1.0 Tm Tm4 1 0.00000000 0.67734088 0.79373738 1.0 Tm Tm5 1 0.00000000 0.32265912 0.79373738 1.0 Cr Cr6 1 0.50000000 0.50000000 0.16505670 1.0 Cr Cr7 1 0.00000000 0.00000000 0.83650588 1.0 Cr Cr8 1 0.00000000 0.50000000 0.98869424 1.0 Cr Cr9 1 0.50000000 0.00000000 0.01291887 1.0 Cr Cr10 1 0.50000000 0.33830045 0.99468571 1.0 Cr Cr11 1 0.50000000 0.66169955 0.99468571 1.0 P P12 1 0.50000000 0.50000000 0.87783505 1.0 P P13 1 0.00000000 0.00000000 0.11952348 1.0 P P14 1 0.50000000 0.50000000 0.35326081 1.0 P P15 1 0.00000000 0.00000000 0.64717626 1.0 P P16 1 0.50000000 0.31274716 0.61842629 1.0 P P17 1 0.50000000 0.68725284 0.61842629 1.0 P P18 1 0.00000000 0.18496746 0.38070792 1.0 P P19 1 0.00000000 0.81503254 0.38070792 1.0 P P20 1 0.50000000 0.83983564 0.89230725 1.0 P P21 1 0.50000000 0.16016436 0.89230725 1.0 P P22 1 0.00000000 0.65116880 0.10853586 1.0 P P23 1 0.00000000 0.34883120 0.10853586 1.0 Ir Ir24 1 0.50000000 0.50000000 0.69490980 1.0 Ir Ir25 1 0.00000000 0.00000000 0.29946244 1.0 Ir Ir26 1 0.00000000 0.16916063 0.00679695 1.0 Ir Ir27 1 0.00000000 0.83083937 0.00679695 1.0 Ir Ir28 1 0.50000000 0.29251228 0.43064754 1.0 Ir Ir29 1 0.50000000 0.70748772 0.43064754 1.0 Ir Ir30 1 0.00000000 0.20334550 0.56912292 1.0 Ir Ir31 1 0.00000000 0.79665450 0.56912292 1.0 Ir Ir32 1 0.50000000 0.87272843 0.71475581 1.0 Ir Ir33 1 0.50000000 0.12727157 0.71475581 1.0 Ir Ir34 1 0.00000000 0.62702853 0.28820672 1.0 Ir Ir35 1 0.00000000 0.37297147 0.28820672 1.0