# generated using pymatgen data_Tm3Ni8MoP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71233054 _cell_length_b 10.53540252 _cell_length_c 12.20050493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Ni8MoP6 _chemical_formula_sum 'Tm6 Ni16 Mo2 P12' _cell_volume 477.17268598 _cell_formula_units_Z 2 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 0.52430397 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47569603 1.0 Tm Tm2 1 0.50000000 0.81985941 0.20840851 1.0 Tm Tm3 1 0.50000000 0.18014059 0.20840851 1.0 Tm Tm4 1 0.00000000 0.68014059 0.79159149 1.0 Tm Tm5 1 0.00000000 0.31985941 0.79159149 1.0 Ni Ni6 1 0.50000000 0.50000000 0.70000844 1.0 Ni Ni7 1 0.00000000 0.00000000 0.29999156 1.0 Ni Ni8 1 0.00000000 0.50000000 0.98467021 1.0 Ni Ni9 1 0.50000000 0.00000000 0.01532979 1.0 Ni Ni10 1 0.50000000 0.33296460 0.98777659 1.0 Ni Ni11 1 0.50000000 0.66703540 0.98777659 1.0 Ni Ni12 1 0.00000000 0.16703540 0.01222341 1.0 Ni Ni13 1 0.00000000 0.83296460 0.01222341 1.0 Ni Ni14 1 0.50000000 0.30414029 0.42770473 1.0 Ni Ni15 1 0.50000000 0.69585971 0.42770473 1.0 Ni Ni16 1 0.00000000 0.19585971 0.57229527 1.0 Ni Ni17 1 0.00000000 0.80414029 0.57229527 1.0 Ni Ni18 1 0.50000000 0.87809475 0.70999559 1.0 Ni Ni19 1 0.50000000 0.12190525 0.70999559 1.0 Ni Ni20 1 0.00000000 0.62190525 0.29000441 1.0 Ni Ni21 1 0.00000000 0.37809475 0.29000441 1.0 Mo Mo22 1 0.50000000 0.50000000 0.15319559 1.0 Mo Mo23 1 0.00000000 0.00000000 0.84680441 1.0 P P24 1 0.50000000 0.50000000 0.87711771 1.0 P P25 1 0.00000000 0.00000000 0.12288229 1.0 P P26 1 0.50000000 0.50000000 0.34939850 1.0 P P27 1 0.00000000 0.00000000 0.65060150 1.0 P P28 1 0.50000000 0.31484260 0.61388012 1.0 P P29 1 0.50000000 0.68515740 0.61388012 1.0 P P30 1 0.00000000 0.18515740 0.38611988 1.0 P P31 1 0.00000000 0.81484260 0.38611988 1.0 P P32 1 0.50000000 0.84364363 0.89253741 1.0 P P33 1 0.50000000 0.15635637 0.89253741 1.0 P P34 1 0.00000000 0.65635637 0.10746259 1.0 P P35 1 0.00000000 0.34364363 0.10746259 1.0