# generated using pymatgen data_Lu2(Ni7B2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50538492 _cell_length_b 7.50538492 _cell_length_c 7.50538492 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2(Ni7B2)3 _chemical_formula_sum 'Lu2 Ni21 B6' _cell_volume 298.95368602 _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 0.25000000 0.25000000 0.25000000 1.0 Lu Lu1 1 0.75000000 0.75000000 0.75000000 1.0 Ni Ni2 1 0.00000000 0.00000000 -0.00000000 1.0 Ni Ni3 1 0.83834248 0.38721917 0.38721917 1.0 Ni Ni4 1 0.38721917 0.83834248 0.38721917 1.0 Ni Ni5 1 0.38721917 0.38721917 0.83834248 1.0 Ni Ni6 1 0.38721917 0.38721917 0.38721917 1.0 Ni Ni7 1 0.16165752 0.61278083 0.61278083 1.0 Ni Ni8 1 0.61278083 0.16165752 0.61278083 1.0 Ni Ni9 1 0.61278083 0.61278083 0.16165752 1.0 Ni Ni10 1 0.61278083 0.61278083 0.61278083 1.0 Ni Ni11 1 0.66284038 -0.00000000 0.00000000 1.0 Ni Ni12 1 0.66284038 -0.00000000 0.33715962 1.0 Ni Ni13 1 0.66284038 0.33715962 -0.00000000 1.0 Ni Ni14 1 0.00000000 0.66284038 0.33715962 1.0 Ni Ni15 1 -0.00000000 0.66284038 0.00000000 1.0 Ni Ni16 1 0.33715962 0.66284038 0.00000000 1.0 Ni Ni17 1 -0.00000000 0.33715962 0.66284038 1.0 Ni Ni18 1 0.33715962 0.00000000 0.66284038 1.0 Ni Ni19 1 -0.00000000 0.00000000 0.66284038 1.0 Ni Ni20 1 0.33715962 0.00000000 -0.00000000 1.0 Ni Ni21 1 0.00000000 0.33715962 -0.00000000 1.0 Ni Ni22 1 0.00000000 -0.00000000 0.33715962 1.0 B B23 1 0.72784585 0.27215415 0.27215415 1.0 B B24 1 0.72784585 0.27215415 0.72784585 1.0 B B25 1 0.72784585 0.72784585 0.27215415 1.0 B B26 1 0.27215415 0.72784585 0.72784585 1.0 B B27 1 0.27215415 0.72784585 0.27215415 1.0 B B28 1 0.27215415 0.27215415 0.72784585 1.0