# generated using pymatgen data_LuTh2Ni13B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91097469 _cell_length_b 4.91097614 _cell_length_c 10.93321805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998374 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuTh2Ni13B2 _chemical_formula_sum 'Lu1 Th2 Ni13 B2' _cell_volume 228.35694942 _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 Lu Lu0 1 0.00000000 0.00000000 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.32708461 1.0 Th Th2 1 0.00000000 0.00000000 0.67291539 1.0 Ni Ni3 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni4 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.33333300 0.66666700 0.31665236 1.0 Ni Ni7 1 0.66666700 0.33333300 0.31665236 1.0 Ni Ni8 1 0.66666700 0.33333300 0.68334764 1.0 Ni Ni9 1 0.33333300 0.66666700 0.68334764 1.0 Ni Ni10 1 0.50000000 0.00000000 0.12997474 1.0 Ni Ni11 1 0.50000000 0.50000000 0.12997474 1.0 Ni Ni12 1 0.00000000 0.50000000 0.12997474 1.0 Ni Ni13 1 0.50000000 0.00000000 0.87002526 1.0 Ni Ni14 1 0.50000000 0.50000000 0.87002526 1.0 Ni Ni15 1 0.00000000 0.50000000 0.87002526 1.0 B B16 1 0.33333300 0.66666700 0.00000000 1.0 B B17 1 0.66666700 0.33333300 0.00000000 1.0