# generated using pymatgen data_Th3Co3(Ni2B)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00803575 _cell_length_b 5.00803425 _cell_length_c 10.14850066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000342 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Co3(Ni2B)4 _chemical_formula_sum 'Th3 Co3 Ni8 B4' _cell_volume 220.42822897 _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 Th Th0 1 0.00000000 0.00000000 0.65874522 1.0 Th Th1 1 0.00000000 0.00000000 0.34125478 1.0 Th Th2 1 0.00000000 0.00000000 0.00000000 1.0 Co Co3 1 0.50000000 0.50000000 0.50000000 1.0 Co Co4 1 0.00000000 0.50000000 0.50000000 1.0 Co Co5 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.20232546 1.0 Ni Ni7 1 0.50000000 0.50000000 0.20232546 1.0 Ni Ni8 1 0.00000000 0.50000000 0.20232546 1.0 Ni Ni9 1 0.50000000 0.00000000 0.79767454 1.0 Ni Ni10 1 0.50000000 0.50000000 0.79767454 1.0 Ni Ni11 1 0.00000000 0.50000000 0.79767454 1.0 Ni Ni12 1 0.33333300 0.66666700 0.00000000 1.0 Ni Ni13 1 0.66666700 0.33333300 0.00000000 1.0 B B14 1 0.33333300 0.66666700 0.64870039 1.0 B B15 1 0.66666700 0.33333300 0.64870039 1.0 B B16 1 0.66666700 0.33333300 0.35129961 1.0 B B17 1 0.33333300 0.66666700 0.35129961 1.0