# generated using pymatgen data_TmTh(Ni4B)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93347678 _cell_length_b 4.93347649 _cell_length_c 6.96032923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999539 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmTh(Ni4B)2 _chemical_formula_sum 'Tm1 Th1 Ni8 B2' _cell_volume 146.71232033 _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 0.00000000 0.50000000 1.0 Th Th1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.00000000 0.50000000 0.29383337 1.0 Ni Ni3 1 0.50000000 0.50000000 0.29383337 1.0 Ni Ni4 1 0.50000000 0.50000000 0.70616663 1.0 Ni Ni5 1 0.50000000 0.00000000 0.70616663 1.0 Ni Ni6 1 0.00000000 0.50000000 0.70616663 1.0 Ni Ni7 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni8 1 0.33333300 0.66666700 0.00000000 1.0 Ni Ni9 1 0.50000000 0.00000000 0.29383337 1.0 B B10 1 0.66666700 0.33333300 0.50000000 1.0 B B11 1 0.33333300 0.66666700 0.50000000 1.0