# generated using pymatgen data_Tm3Th(Ni7P4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68722294 _cell_length_b 9.07758182 _cell_length_c 10.19194533 _cell_angle_alpha 89.92293067 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Th(Ni7P4)2 _chemical_formula_sum 'Tm3 Th1 Ni14 P8' _cell_volume 341.13498566 _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 0.00000000 0.44245024 0.51910564 1.0 Tm Tm1 1 0.50000000 0.55816414 0.01814697 1.0 Tm Tm2 1 0.00000000 0.06489751 0.73630810 1.0 Th Th3 1 0.50000000 0.93980770 0.23719859 1.0 Ni Ni4 1 0.00000000 0.77523234 0.40555562 1.0 Ni Ni5 1 0.50000000 0.22401835 0.90362024 1.0 Ni Ni6 1 0.00000000 0.75292659 0.64046339 1.0 Ni Ni7 1 0.50000000 0.25013728 0.13953307 1.0 Ni Ni8 1 0.00000000 0.81151303 0.00138142 1.0 Ni Ni9 1 0.50000000 0.18753970 0.50630380 1.0 Ni Ni10 1 0.00000000 0.44068568 0.21286632 1.0 Ni Ni11 1 0.50000000 0.55597680 0.71396867 1.0 Ni Ni12 1 0.00000000 0.40305627 0.82029845 1.0 Ni Ni13 1 0.50000000 0.59376581 0.32250927 1.0 Ni Ni14 1 0.00000000 0.19662609 0.31442394 1.0 Ni Ni15 1 0.50000000 0.80475311 0.80859739 1.0 Ni Ni16 1 0.00000000 0.08298225 0.03932062 1.0 Ni Ni17 1 0.50000000 0.91838696 0.55103583 1.0 P P18 1 0.00000000 0.68398853 0.20035739 1.0 P P19 1 0.50000000 0.31064801 0.70047661 1.0 P P20 1 0.00000000 0.02390419 0.46182986 1.0 P P21 1 0.50000000 0.97995558 0.94601812 1.0 P P22 1 0.00000000 0.32065108 0.02283416 1.0 P P23 1 0.50000000 0.68016848 0.52502646 1.0 P P24 1 0.00000000 0.65255469 0.83001753 1.0 P P25 1 0.50000000 0.34520960 0.33240156 1.0