# generated using pymatgen data_Tm8Be3Si13Mo12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64848480 _cell_length_b 6.82072933 _cell_length_c 12.78995788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.07452701 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Be3Si13Mo12 _chemical_formula_sum 'Tm8 Be3 Si13 Mo12' _cell_volume 579.99231936 _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 0.49865270 0.33401445 0.09474173 1.0 Tm Tm1 1 0.00015417 0.16986946 0.40480427 1.0 Tm Tm2 1 0.49860494 0.66778550 0.59747405 1.0 Tm Tm3 1 0.99885789 0.83272517 0.90265003 1.0 Tm Tm4 1 0.49860494 0.66778550 0.90252595 1.0 Tm Tm5 1 0.99885789 0.83272517 0.59734997 1.0 Tm Tm6 1 0.49865270 0.33401445 0.40525827 1.0 Tm Tm7 1 0.00015417 0.16986946 0.09519573 1.0 Be Be8 1 0.54248401 0.36848135 0.75000000 1.0 Be Be9 1 0.04271823 0.13135844 0.75000000 1.0 Be Be10 1 0.45771636 0.63257562 0.25000000 1.0 Si Si11 1 0.66152737 0.04261478 0.54330528 1.0 Si Si12 1 0.16126466 0.45678337 0.95547675 1.0 Si Si13 1 0.33884017 0.95838251 0.04304517 1.0 Si Si14 1 0.83823772 0.54017725 0.45746972 1.0 Si Si15 1 0.33884017 0.95838251 0.45695483 1.0 Si Si16 1 0.83823772 0.54017725 0.04253028 1.0 Si Si17 1 0.66152737 0.04261478 0.95669472 1.0 Si Si18 1 0.16126466 0.45678337 0.54452325 1.0 Si Si19 1 0.96071066 0.86836113 0.25000000 1.0 Si Si20 1 0.79630301 0.61681222 0.75000000 1.0 Si Si21 1 0.29624475 0.88264831 0.75000000 1.0 Si Si22 1 0.20315556 0.38106879 0.25000000 1.0 Si Si23 1 0.69677147 0.12782007 0.25000000 1.0 Mo Mo24 1 0.83887220 0.32572558 0.62770109 1.0 Mo Mo25 1 0.33915709 0.17317252 0.87247555 1.0 Mo Mo26 1 0.16523480 0.67014558 0.12480696 1.0 Mo Mo27 1 0.66259559 0.82659101 0.37391748 1.0 Mo Mo28 1 0.16523480 0.67014558 0.37519304 1.0 Mo Mo29 1 0.66259559 0.82659101 0.12608252 1.0 Mo Mo30 1 0.83887220 0.32572558 0.87229891 1.0 Mo Mo31 1 0.33915709 0.17317252 0.62752445 1.0 Mo Mo32 1 0.66651993 0.01280431 0.75000000 1.0 Mo Mo33 1 0.16630417 0.48700652 0.75000000 1.0 Mo Mo34 1 0.33481591 0.99234228 0.25000000 1.0 Mo Mo35 1 0.83225535 0.50274358 0.25000000 1.0