# generated using pymatgen data_Sc3Co(BIr2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03998867 _cell_length_b 9.43278904 _cell_length_c 9.43278904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Co(BIr2)2 _chemical_formula_sum 'Sc6 Co2 B4 Ir8' _cell_volume 270.49061962 _cell_formula_units_Z 2 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 Sc Sc0 1 0.00000000 0.17663323 0.67663323 1.0 Sc Sc1 1 0.00000000 0.82336677 0.32336677 1.0 Sc Sc2 1 0.00000000 0.32336677 0.17663323 1.0 Sc Sc3 1 0.00000000 0.67663323 0.82336677 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.50000000 1.0 Co Co6 1 0.50000000 0.00000000 0.50000000 1.0 Co Co7 1 0.50000000 0.50000000 0.00000000 1.0 B B8 1 0.00000000 0.61101396 0.11101396 1.0 B B9 1 0.00000000 0.38898604 0.88898604 1.0 B B10 1 0.00000000 0.88898604 0.61101396 1.0 B B11 1 0.00000000 0.11101396 0.38898604 1.0 Ir Ir12 1 0.50000000 0.06313769 0.22949228 1.0 Ir Ir13 1 0.50000000 0.93686231 0.77050772 1.0 Ir Ir14 1 0.50000000 0.77050772 0.06313769 1.0 Ir Ir15 1 0.50000000 0.43686231 0.72949228 1.0 Ir Ir16 1 0.50000000 0.22949228 0.93686231 1.0 Ir Ir17 1 0.50000000 0.56313769 0.27050772 1.0 Ir Ir18 1 0.50000000 0.72949228 0.56313769 1.0 Ir Ir19 1 0.50000000 0.27050772 0.43686231 1.0